Browse Detail


TMDB ID Entry Name
CAS Number
Compound Formula
Molecular Weight
2D Structure
TMDB00001 3-O-(3,4,5-Trihydroxybenzoyl) 3,3',4',5,5',7-Hexahydroxyflavan
989-51-5
C22H18O11
458.37172
TMDB00010 Fuzhuanin B
Not Available
C13H14O6
266.24666
TMDB00100 Theasinensin C; 3-O-(3,4,5-Trihydroxybenzoyl)
89064-32-4
C37H30O18
762.6233
TMDB01000 Benzoic acid; Benzyl ester
120-51-4
C14H12O2
212.24388
TMDB01001 1,2-Benzenedicarboxylic acid; Di-Et ester
84-66-2
C12H14O4
222.23716
TMDB01002 Dibutyl Phthealate
84–74–2
C16H22O4
278.34348
TMDB01003 Phenylacetic acid; Et ester
101-97-3
C10H12O2
164.20108
TMDB01004 Phenylacetic acid; Hexyl ester
5421-17-0
C14H20O2
220.3074
TMDB01005 Jasmonic acid; Me ester
1211-29-6
C13H20O3
224.2961
TMDB01006 Dihydro-2(3H)-furanone
96-48-0
C4H6O2
86.08924
TMDB01007 2(5H)-Furanone
497-23-4
C4H4O2
84.07336
TMDB01008 Dihydro-3-methyl-2(3H)-furanone
1679-47-6
C5H8O2
100.11582
TMDB01009 Dihydro-5-methyl-2(3H)-furanone; (?-form
57129-69-8
C5H8O2
100.11582
TMDB00101 3,3'-Bis(3,4,5-trihydroxybenzoyl) theasinensin C
89064-31-3
C44H34O22
914.72756
TMDB01010 5-Ethyldihydro-2(3H)-furanone
695-06-7
C6H10O2
114.1424
TMDB01011 Tetrahydro-6-methyl-2H-pyran-2-one; (R)-form
43112-32-9
C6H10O2
114.1424
TMDB01012 Dihydro-5-methyl-5-vinyl-2(3H)-furanone
1073-11-6
C7H10O2
126.1531
TMDB01013 4-Heptanolide
105-21-5, 57129-71-2
C7H12O2
128.16898
TMDB01014 5-Hydroxyheptanoic acid
3301-90-4
C7H12O2
128.16898
TMDB01015 5-Hexyldihydro-2(3H)-furanone
706-14-9
C10H18O2
170.24872
TMDB01016 4-Hydroxytetradecanoic acid
2721-23-5
C14H26O2
226.35504
TMDB01017 2H-1-Benzopyran-2-one
91-64-5
C9H6O2
146.14274
TMDB01018 Tetrahydro-6-(2-pentenyl)-2H-pyran-2-one; (R)-(Z)-form
25524-95-2
C10H16O2
168.23284
TMDB01019 5-Hexyldihydro-5-methyl-2(3H)-furanone
7011-83-8
C11H20O2
184.2753
TMDB01020 Dihydrobovolide
10547-84-9
C11H18O2
182.25942
TMDB01021 Formic acid
64-18-6
CH2O2
46.02538
TMDB01022 2-Propynoic acid
471-25-0
C3H2O2
70.04678
TMDB01023 2-Methylbutanoic acid; (?-form
600-07-7
C5H10O2
102.1317
TMDB01024 4-Methylpentanoic acid
646-07-1
C6H12O2
116.15828
TMDB01025 Hexanoic acid
142-62-1
C6H12O2
116.15828
TMDB01026 2-Hexenoic acid; (Z)-form
1577-28-2
C7H14O2
130.18486
TMDB01027 Heptanoic acid
111-14-8
C7H14O2
130.18486
TMDB01028 6-Methylheptanoic acid
929-10-2
C8H16O2
144.21144
TMDB01029 2-Octenoic acid
1470-50-4
C8H14O2
142.19556
TMDB01030 7-Methyloctanoic acid
26896-18-4
C9H18O2
158.23802
TMDB01031 Nonanoic acid
112-05-0
C9H18O2
158.23802
TMDB01032 8-Methylnonanoic acid
5963-14-4
C10H20O2
172.2646
TMDB01033 Decanoic acid
334-48-5
C10H20O2
172.2646
TMDB01034 Dodecanoic acid
143-07-7
C12H24O2
200.31776
TMDB01035 Chlorogenic acid methyl ester.
29708-87-0
C18H30O2
278.3353
TMDB01036 Benzoic acid
65-85-0
C7H6O2
122.12134
TMDB01037 Phenylacetic acid
103-82-2
C8H8O2
136.14792
TMDB01038 3,7-Dimethyl-2,6-octadienoic acid
459-80-3
C10H16O2
168.23284
TMDB01039 Phenol
108-95-2
C6H6O
94.11124
TMDB01040 2-Methylphenol
95-48-7
C7H8O
108.13782
TMDB01041 3-Methylphenol
108-39-4
C7H8O
108.13782
TMDB01042 4-Methylphenol
106-44-5
C7H8O
108.13782
TMDB01043 2,6-Dimethylphenol
576-26-1
C8H10O
122.1644
TMDB01044 2,3-Dimethylphenol
526-75-0
C8H10O
122.1644
TMDB01045 2,4,5-Trimethylphenol
496-78-6
C9H12O
136.19098
TMDB01046 3-Ethylphenol
620-17-7
C8H10O
122.1644
TMDB01047 4-Ethylphenol
123-07-9
C8H10O
122.1644
TMDB01048 4-Vinylphenol
2628-17-3
C8H8O
120.14852
TMDB01049 3-Ethyl-5-methylphenol
698-71-5
C9H12O
136.19098
TMDB01050 4-Propylphenol
645-56-7
C9H12O
136.19098
TMDB01051 2-(1-Methylpropyl)phenol
89-72-5
C10H14O
150.21756
TMDB01052 4-(1-Methylpropyl)phenol
99-71-8
C10H14O
150.21756
TMDB01053 2-Ethyl-4-methylphenol
3855-26-3
C9H12O
136.19098
TMDB01054 4-Propyl-1,2-benzenediol; 2-Me ether
2785-87-7
C10H14O2
166.21696
TMDB01055 5-Methyl-1,2,3-benzenetriol; 1,3-Di-Me ether
6638-05-7
C9H12O3
168.18978
TMDB01056 2,4-Diisopropylphenol
2934-05-6
C12H18O
178.27072
TMDB01057 2,6-Diisopropyl-4-methylphenol
20766-99-8
C13H20O
192.2973
TMDB01058 4-Vinyl-1,2-benzenediol; 2-Me ether
7786-61-0
C9H10O2
150.1745
TMDB01059 2-Methoxyphenol
90-05-1
C7H8O2
124.13722
TMDB00106 Theatribenzotropolone A
Not Available
C71H52O30
1385.15458
TMDB01060 3-Methyl-1,2-benzenediol; 1-Me ether
2896-67-5
C8H10O2
138.1638
TMDB01061 4-Methyl-1,2-benzenediol; 2-Me ether
93-51-6
C8H10O2
138.1638
TMDB01062 3,3',4',5,7-Pentahydroxyflavan; (2R,3S)-form, 4'-Me ether
69912-75-0
C16H16O6
304.29464
TMDB01063 4-Ethyl-6-Methyl Guaiancol
Not Available
C10H14O2
166.21696
TMDB01064 2-Methoxy-4-(1-propenyl)phenol
97-54-1
C10H12O2
164.20108
TMDB01065 5-Isopropyl-2-methylphenol
499-75-2
C10H14O
150.21756
TMDB01066 Ether
7578-39-4
C4H10O
74.1216
TMDB01067 Acetaldehyde; Di-Me acetal
534-15-6
C4H10O2
90.121
TMDB01068 1,1-Diethoxyethane
105-57-7
C6H14O2
118.17416
TMDB01069 Butanal; Di-Et acetal
3658-95-5
C8H18O2
146.22732
TMDB00107 Theogallinin
144207-58-9
C36H32O21
800.62668
TMDB01070 Hexanal; Di-Me acetal
1599-47-9
C8H18O2
146.22732
TMDB01071 2-(2,3-Dihydroxypropoxy)propanoic acid
Not Available
C6H12O5
164.15648
TMDB01072 P-Ethylanisole
3494-45-9
C9H12O
136.19098
TMDB01073 4-(1-Propenyl)phenol; (E)-form, Me ether
4180-23-8
C10H12O
148.20168
TMDB01074 1,2-Dimethoxybenzene
91-16-7
C8H10O2
138.1638
TMDB01075 1,4-Dimethoxybenzene
150-78-7
C8H10O2
138.1638
TMDB01076 4-Methyl-1,2-benzenediol; Di-Me ether
494-99-5
C9H12O2
152.19038
TMDB01077 1,2,3-Benzenetriol; Tri-Me ether
634-36-6
C9H12O3
168.18978
TMDB01078 5-Methyl-1,2,3-benzenetriol; Tri-Me ether
6443-69-2
C10H14O3
182.21636
TMDB01079 1,2,3-Trimethoxy-5-Ethylbenzene
Not Available
C11H16O3
196.24294
TMDB00108 1,4,6-Trigalloylglucose; β-D-Pyranose-form
94513-58-3
C27H24O18
636.46866
TMDB01080 Furan
110-00-9
C4H4O
68.07396
TMDB01081 2-Methylfuran
534-22-5
C5H6O
82.10054
TMDB01082 2,3-Dihydro-3-methylfuran
1708-27-6
C5H8O
84.11642
TMDB01083 2-Acetyl-5-methylfuran
1193-79-9
C7H8O2
124.13722
TMDB01084 2-Pentylfuran
3777-69-3
C9H14O
138.20686
TMDB01085 Iso-Amylfuran
15012-77-8
C9H14O
138.20686
TMDB01086 Dibenzofuran
132-64-9
C12H8O
168.19132
TMDB01087 Hydrogen sulfide (H2S)
7783-06-4
H2S
34.08088
TMDB01088 Methanethiol
74-93-1
CH4S
48.10746
TMDB01089 Dimethyl sulfide
75-18-3
C2H6S
62.13404
TMDB00109 3,3',4',5,5',7-Hexahydroxyflavan-(4->8)-3,3',4',5,5',7-hexahydroxyflavan; (all-R)-form, 3'-O-(3,4,5-Trihydroxybenzoyl)
86588-88-7
C37H30O18
762.6233
TMDB01090 5-Methylthiazole
3581-89-3
C4H5NS
99.1542
TMDB01091 2,4-Dimethylthiazole
541-58-2
C5H7NS
113.18078
TMDB01092 Trimethylthiazole
13623-11-5
C6H9NS
127.20736
TMDB01093 Trialkylthiazoles; 4-Ethyl-2,5-dimethylthiazole
32272-57-4
C7H11NS
141.23394
TMDB01094 Pyrrole
109-97-7
C4H5N
67.0892
TMDB01095 1-Ethylpyrrole
92933-61-4
C6H9N
95.14236
TMDB01096 2-Acetylpyrrole
1072-83-9
C6H7NO
109.12588
TMDB01097 Not Available
2167-14-8
C6H7NO
109.12588
TMDB01098 1H-Pyrrole-2-carboxaldehyde; N-Me
1192-58-1
C6H7NO
109.12588
TMDB01099 2-Acetylpyrrole; N-Me
932-16-1
C7H9NO
123.15246
TMDB00011 3,3'-Bis(3,4,5-trihydroxybenzoyl) 3,3',4',5,5',7-Hexahydroxyflavan (2R,3R)-form
89013-66-1
C29H22O15
610.47598
TMDB01100 1H-Pyrrole-2-carboxaldehyde; N-Et
2167-14-8
C7H9NO
123.15246
TMDB01101 2-Acetylpyrrole; N-Et
39741-41-8
C8H11NO
137.17904
TMDB01102 1-Propyl-2-Formylpyrrole
Not Available
C8H11NO
137.17904
TMDB01103 2-Propanoylpyrrole
1073-26-3
C7H9NO
123.15246
TMDB01104 2-Methylquinoline
91-63-4
C10H9N
143.18516
TMDB01105 7-Methylquinoline
612-60-2
C10H9N
143.18516
TMDB01106 2,4-Dimethylquinoline
1198-37-4
C11H11N
157.21174
TMDB01107 2,6-Dimethylquinoline
877-43-0
C11H11N
157.21174
TMDB01108 4,8-Dimethylquinoline
13362-80-6
C11H11N
157.21174
TMDB01109 3-Propylquinoline
20668-43-3
C12H13N
171.23832
TMDB01110 4-Butylquinoline
74808-78-9
C13H15N
185.2649
TMDB01111 Pyrazine
290-37-9
C4H4N2
80.08796
TMDB01112 2,6-Dimethylpyrazine
108-50-9
C6H8N2
108.14112
TMDB01113 2-Ethylpyrazine
13925-00-3
C6H8N2
108.14112
TMDB01114 Vinylpyrazine
4177-16-6
C6H6N2
106.12524
TMDB01115 Tetramethylpyrazine
1124-11-4
C8H12N2
136.19428
TMDB01116 2-Ethyl-3-methylpyrazine
15707-23-0
C7H10N2
122.1677
TMDB01117 Propylpyrazine
18138-03-9
C7H10N2
122.1677
TMDB01118 6,7-Dihydro-5H-Cyclopentapyrazine
23747-47-9
C7H8N2
120.15182
TMDB01119 6,7-Dihydro-2-methyl-5H-cyclopenta[b]pyrazine
23747-46-8
C8H10N2
134.1784
TMDB01120 6,7-Dihydro-5-methyl-5H-cyclopenta[b]pyrazine
23747-48-0
C8H10N2
134.1784
TMDB01121 2-Ethyl-6,7-Dihydro-5H-Cyclopentapyrazine
38917-60-1
C9H12N2
148.20498
TMDB01122 2,5-Diethylpyrazine
13238-84-1
C8H12N2
136.19428
TMDB01123 2,6-Diethylpyrazine
13067-27-1
C8H12N2
136.19428
TMDB01124 3-Ethyl-2,5-dimethylpyrazine
13360-65-1
C8H12N2
136.19428
TMDB01125 2,5-Diethyl-3-methylpyrazine
32736-91-7
C9H14N2
150.22086
TMDB01126 2,3-Diethyl-5-methylpyrazine
18138-04-0
C9H14N2
150.22086
TMDB01127 3,5-Diethyl-2-methylpyrazine
18138-05-1
C9H14N2
150.22086
TMDB01128 2-Ethyl-6-[1-Propyl]pyrazine
Not Available
C9H14N2
150.22086
TMDB01129 (2-Furanyl)pyrazine
32736-95-1
C8H6N2O
146.14604
TMDB01130 2-(Furan-2-yl)-5-methylpyrazine
220927-16-2
C9H8N2O
160.17262
TMDB01131 2-(Furan-2-yl)-6-methylpyrazine
220927-17-3
C9H8N2O
160.17262
TMDB01132 2-Methylpyridine
82005-07-0
C6H7N
93.12648
TMDB01133 Fluticasone
90566-53-3
C6H7N
93.12648
TMDB01134 4-Methylpyridine
108-89-4
C6H7N
93.12648
TMDB01135 4(1H)-Pyridinone; OH-form, Me ether
620-08-6
C6H7NO
109.12588
TMDB01136 2,3-Dimethylpyridine
583-61-9
C7H9N
107.15306
TMDB01137 2,5-Dimethylpyridine
589-93-5
C7H9N
107.15306
TMDB01138 3,4-Dimethylpyridine
583-58-4
C7H9N
107.15306
TMDB01139 4-Vinylpyridine
100-43-6
C7H7N
105.13718
TMDB01140 2-Ethylpyridine
100-71-0
C7H9N
107.15306
TMDB01141 Quercetin 3-O-[β-D-Glucopyranosyl-(1-3)α--L-rhamnopyranosyl-(1-6)-β-D-gluctopyranoside] anion
Not Available
C33H39O21
771.65071
TMDB01142 3-Acetylpyridine
350-03-8
C7H7NO
121.13658
TMDB01143 2-Ethyl-6-methylpyridine
1122-69-6
C8H11N
121.17964
TMDB01144 3-Butylpyridine
539-32-2
C9H13N
135.20622
TMDB01145 2-Phenylpyridine
1008-89-5
C11H9N
155.19586
TMDB01146 3-Phenylpyridine
1008-88-4
C11H9N
155.19586
TMDB01147 2-Methylbutanoic acid; (?-form, Nitrile
18936-17-9
C5H9N
83.13166
TMDB01148 3-Methylbutanoic acid; Nitrile
625-28-5
C5H9N
83.13166
TMDB01149 Benzonitrile
100-47-0
C7H5N
103.1213
TMDB01150 N-Methylacetamide
79-16-3
C4H9NO
87.12036
TMDB01151 N-Ethyl-propionamide
Not Available
C5H11NO
101.14694
TMDB01152 N-Ethyl-Succinimide
2314-78-5
C6H9NO2
127.14116
TMDB01153 2-Ethyl-3-methyl-2-butenedioic acid; (Z)-form, Imide
20189-42-8
C7H9NO2
139.15186
TMDB01154 3-Methyl-1H-indole
83-34-1
C9H9N
131.17446
TMDB01155 Phenylamine
8007-70-3
C6H7N
93.12648
TMDB01156 N-Methylaniline; Hydrochloride
2739-12-0
C7H9N
107.15306
TMDB01157 Chakaflavonoside B
Not Available
C34H42O21
786.68468
TMDB01158 Cyanidin 3-glycosides; Monosaccharides, 3-O-[4-Hydroxy-E-cinnamoyl-(->6)-β-D-glucopyranoside]
56767-17-0
C30H27O13
595.52703
TMDB01162 12-Oleanene-3,16,21,22,23,28-hexol; (3β,16α,21β,22α)-form, 21-Angeloyl, 16-Ac, 3-O-[β-D-glucopyranosyl-(1->2)-α-L-arabinopyranosyl-(1->3)-[β-D-galactopyranosyl-(1->2)]-β-D-glucuronopyranoside]
1013632-57-9
C60H94O28
1263.37156
TMDB01163 12-Oleanene-3,16,21,22,23,28-hexol; (3β,16α,21β,22α)-form, 21-Angeloyl, 16,22-di-Ac, 3-O-[β-D-glucopyranosyl-(1->2)-α-L-arabinopyranosyl-(1->3)-[β-D-galactopyranosyl-(1->2)]-β-D-glucuronopyranoside]
1013632-59-1
C62H96O29
1305.40824
TMDB01164 12-Oleanene-3,16,21,22,28-pentol; (3β,16α,21β,22α)-form, 21-Angeloyl, 3-O-[β-D-xylopyranosyl-(1->2)-α-L-arabinopyranosyl-(1->3)-[β-D-galactopyranosyl-(1->2)]-β-D-glucuronopyranoside]
1013632-61-5
C57H90O25
1175.3095
TMDB01171 Not Available
Not Available
C30H48O4
472.69972
TMDB01172 Not Available
Not Available
C30H50O4
474.7156
TMDB01173 Not Available
Not Available
C30H52O2
444.73268
TMDB01174 3,20-Taraxastanediol; (3β,20αOH)-form
10376-47-3
C30H52O2
444.73268
TMDB01175 2,22-Hopanediol; 2α-form
1193250-54-2
C30H52O2
444.73268
TMDB01176 3,28-Friedelanediol; 3α-form, 3-Ketone
14440-41-6
C30H50O2
442.7168
TMDB01177 Not Available
Not Available
C13H12O4
232.23198
TMDB01178 Planchol A
883238-17-3
C14H14O6
278.25736
TMDB01179 1,3,8-Trihydroxy-6-methylanthraquinone
518-82-1
C15H10O5
270.2369
TMDB01180 1,3,8-Trihydroxy-6-methylanthraquinone; 3-Me ether
521-61-9
C16H12O5
284.26348
TMDB01181 5,7-Dihydroxy-2H-1-benzopyran-2-one
2732-18-5
C9H6O4
178.14154
TMDB01182 Xanthocerin
287393-96-8
C13H12O5
248.23138
TMDB01183 4,7'-Epoxy-3',4',5,9,9'-pentahydroxy-3,8'-bilignan; (7'R,8'S)-form, 3',5-Di-Me ether, 9'-O-β-D-glucopyranoside
421546-95-4
C26H34O11
522.54156
TMDB01184 1-(3,4-Dihydroxyphenyl)-2,3-dihydroxy-1-propanone; 3'-Me ether
168293-10-5
C10H12O5
212.19928
TMDB01185 2-Hydroxybenzoic acid; Benzyl ester, O-[β-D-glucopyranosyl-(1->2)-β-D-glucopyranoside]
1370732-72-1
C26H32O13
552.52448
TMDB01186 6,9-Dihydroxy-4,7-megastigmadien-3-one; (6S,7E,9R)-form, 9-O-β-D-Glucopyranoside
54835-70-0
C19H30O8
386.4367
TMDB01187 5,13-Epoxy-3,6-dihydroxycyclofarnesa-7,9-dien-11-oic acid
41756-77-8
C15H22O5
282.33218
TMDB01188 5,13-Epoxy-3,6-dihydroxycyclofarnesa-7,9-dien-11-oic acid; 3-Epimer
60102-38-7
C15H22O5
282.33218
TMDB01189 Not Available
Not Available
C26H28O14
564.49212
TMDB01190 Astragalin; 2'',6''-Bis-O-(4-hydroxy-E-cinnamoyl)
94474-74-5
C39H32O15
740.66238
TMDB01191 Astragalin; 6''-O-(4-Hydroxy-E-cinnamoyl)
20316-62-5
C30H26O13
594.51964
TMDB01192 Spermine
71-44-3
C10H26N4
202.34024
TMDB01193 Spermidine
124-20-9
C7H19N3
145.24586
TMDB01194 2-Oxopentanedioic acid
328-50-7
C5H6O5
146.09814
TMDB01195 2-Hydroxypropanoic acid; (R)-form
10326-41-7
C3H6O3
90.07794
TMDB01196 Dodecanoic acid; Amide
1120-16-7
C12H25NO
199.333
TMDB01197 Not Available
3072-13-7
C18H33NO
279.46072
TMDB01198 Chlorophyll a; 3'-Parent acid
14897-06-4
C35H34MgN4O5
614.97326
TMDB01199 Chlorophyll b; 3'-Free acid
14428-12-7
C35H32MgN4O6
628.95678
TMDB00012 3,4'-Bis(3,4,5-trihydroxybenzoyl) 3,3',4',5,5',7-Hexahydroxyflavan (2R,3R)-form
89013-67-2
C29H22O15
610.47598
TMDB01200 Phaeophytin a
603-17-8
C55H74N4O5
871.19986
TMDB01201 Phaeophytin b
3147-18-0
C55H72N4O6
885.18338
TMDB01202 Phaeophorbide a
15664-29-6
C35H36N4O5
592.68414
TMDB01203 Phaeophorbide b
20239-99-0
C35H34N4O6
606.66766
TMDB01204 Pyrophaeophorbide a; 3,7R,5,11R-Tetramethyl-2E-hexadecenyl ester
14409-87-1
C53H72N4O3
813.16378
TMDB01205 Pyrophaeophorbide a; 33-Oxo, 3,7R,5,11R-tetramethyl-2E-hexadecenyl ester
77331-75-0
C53H70N4O4
827.1473
TMDB01206 Auroxanthin
27785-15-5
C40H56O4
600.87024
TMDB01207 Pyrophaeophorbide a; 33-Oxo
82040-65-1
C33H32N4O4
548.63158
TMDB01209 Vitexin 2''-alfa-L-Rhamnopyranosyl anion
Not Available
C27H29O15
593.51071
TMDB01210 Isoneotheaflavin 3-O-gallate
Not Available
C36H28O16
716.59792
TMDB01211 Isoneotheaflavin
Not Available
C29H24O12
564.49366
TMDB01212 3-Methyl-epicatechin
Not Available
C16H16O6
304.29464
TMDB01213 Kaempferol 3,7-diglycosides; 3-O-α-L-Rhamnopyranoside, 7-O-β-D-galacturonopyranoside
124167-98-2
C27H28O16
608.50162
TMDB01214 Kaempferol 3-glycosides; Monoglycosides, 3-O-[4-Hydroxycinnamoyl-(->4)-2,3-di-O-acetyl-α-L-rhamnopyranosid
128941-61-7
C34H30O14
662.5936
TMDB01215 Kaempferol 3-glycosides; Diglycosides, 3-O-[4-Hydroxy-E-cinnamoyl-(->6)-β-D-glucopyranosyl-(1->4)-α-L-rhamnopyranoside]
102231-39-0
C36H36O17
740.66084
TMDB01216 4',5,7-Trihydroxyflavanone; (S)-form, 7-O-[α-L-Rhamnopyranosyl-(1->6)-β-D-glucopyranoside]
14259-46-2
C27H30O15
594.5181
TMDB01217 p-Menth-3-en-1-ol
586-82-3
C10H18O
154.24932
TMDB01218 1-Hexanol; Benzoyl
6789-88-4
C13H18O2
206.28082
TMDB01219 2'-Hydroxyacetophenone
118-93-4
C8H8O2
136.14792
TMDB01220 Hexanoic acid; Hexyl ester
6378-65-0
C12H24O2
200.31776
TMDB01221 Butanoic acid; Me ester
623-42-7
C5H10O2
102.1317
TMDB01222 2-Pinen-10-ol; (?-form
111957-74-5
C10H16O
152.23344
TMDB01223 (-)-Epicatechin sulfate.
Not Available
C15H13O9S
369.32387
TMDB01224 3,4,5-Trihydroxybenzoic acid; 4-Me ether
4319-02-2
C8H8O5
184.14612
TMDB01225 Pentanoic acid; Me ester
624-24-8
C6H12O2
116.15828
TMDB01226 2-Pentenal
764-39-6
C5H8O
84.11642
TMDB01227 (-)-Epigallocatechin sulfate.
Not Available
C15H13O10S
385.32327
TMDB01228 Diphenyl ether
101-84-8
C12H10O
170.2072
TMDB01229 3-Mercapto-3-methyl-1-butanol; Me ether
94087-83-9
C6H14OS
134.23976
TMDB01230 Trimethyl-2-propenylpyrazine
55138-71-1
C10H14N2
162.23156
TMDB01231 2,5-Dimethyl-3-(1-propenyl)pyrazine
55138-77-7. 55138-73-3
C9H12N2
148.20498
TMDB01232 3,5-Dimethyl-2-(1-propenyl)pyrazine
55138-78-8. 55138-74-4
C9H12N2
148.20498
TMDB01233 3,3'-Dithiobis[2-methylfuran]
28588-75-2
C10H10O2S2
226.3152
TMDB01234 8-(N-Ethyl-5-oxo-2-pyrrolidinyl)theasinensin A
858859-35-5
C50H43NO23
1025.86932
TMDB01235 Proepitheaflagallin
894417-15-3
C30H24O15
624.50256
TMDB01236 Proepitheaflagallin B
1138796-60-7
C30H26O14
610.51904
TMDB01237 4',5,7-Trihydroxyflavanone; (S)-form, 7-O-[β-D-Xylopyranosyl-(1->6)-β-D-glucopyranoside]
943785-08-8
C26H30O14
566.508
TMDB01238 4',5,7-Trihydroxyflavanone 7-O-Fructoside (S)-form
Not Available
C21H22O10
434.39338
TMDB01239 4-O-p-Coumaroylquinic acid
53539-37-0
C16H18O8
338.30932
TMDB00124 Stenophyllanin C; 3'-Epimer
138256-93-6
C49H36O27
1056.79394
TMDB01241 3,3',4',5,7-Pentahydroxyflavan(4->8)-3,3',4',5,7-pentahydroxyflavan; (2R,2'R,3R,3'S,4R)-form
20315-25-7
C30H26O12
578.52024
TMDB01242 3,3',4',5,7-Pentahydroxyflavan-(4->6)-3,3',4',5,7-pentahydroxyflavan
123051-09-2
C30H26O12
578.52024
TMDB01243 3,3',4',5,7-Pentahydroxyflavan-(4->6)-3,3',4',5,7-pentahydroxyflavan; (2R,2'R,3R,3'S,4R)-form
12798-59-3
C30H26O12
578.52024
TMDB01244 3,3',4',5,5',7-Hexahydroxyflavan-(4->8)-3,3',4',5,5',7-hexahydroxyflavan; (2R,2'R,3S,3'S,4S)-form
110115-59-8
C30H26O13
594.51964
TMDB01245 Epicatechin-(4beta-8)-gallocatechin. Epicatechin(4β→8)gallocatechin
Not Available
C30H26O13
594.51964
TMDB01246 Theaflavate C
Not Available
C64H46O28
1263.03324
TMDB01247 Bistheaflavate A
Not Available
C86H64O39
1721.40496
TMDB01248 Galloyl oolongtheanin II
Not Available
C43H34O19
854.71866
TMDB01249 EGCg dimer A
Not Available
C43H34O20
870.71806
TMDB00125 3,3',4',5,7-Pentahydroxyflavan-(4->6)-3,3',4',5,7-pentahydroxyflavan; (2R,2'R,3R,3'R,4R)-form, 5'',5'''-Dihydroxy, 3,3'-bis-O-(3,4,5-trihydroxybenzoyl)
86588-87-6
C44H34O22
914.72756
TMDB00126 3,3',4',5,7-Pentahydroxyflavan-(4->6)-3,3',4',5,7-pentahydroxyflavan; (2R,2'R,3R,3'R,4R)-form, 5'''-Hydroxy, 3,3'-bis-O-(3,4,5-trihydroxybenzoyl)
126715-91-1
C44H34O21
898.72816
TMDB01266 Isovitexin; 7-O-β-D-Glucopyranoside
20310-89-8
C27H30O15
594.5181
TMDB01267 3,5-Di-O-caffeoylquinic acid
2450-53-5
C25H24O12
516.45086
TMDB01268 3,3',4',5,5',7-Hexahydroxyflavan; (2R,3R)-form, 3-O-(4-Hydroxy-3-methoxy-E-cinnamoyl)
1257872-16-4
C25H22O10
482.43618
TMDB01269 Not Available
Not Available
C28H24O17
632.47996
TMDB00127 3,3',4',5,7-Pentahydroxyflavan-(4->6)-3,3',4',5,7-pentahydroxyflavan; (2R,2'R,3R,3'R,4R)-form, 5''-Hydroxy, 3,3'-bis-O-(3,4,5-trihydroxybenzoyl)
126715-92-2
C44H34O21
898.72816
TMDB01270 3,3',4',5,5',7-Hexahydroxyflavan; (2R,3R)-form, 3-O-(4-Hydroxybenzoyl)
159390-94-0
C22H18O9
426.37292
TMDB01271 5-O-Caffeoylquinic acid
534-61-2
C16H18O9
354.30872
TMDB01272 Vitexin; 2''-β-D-Glucopyranosyl
61360-94-9
C27H30O15
594.5181
TMDB01273 Vitexin; 2''-α-L-Rhamnopyranosyl
64820-99-1
C27H30O14
578.5187
TMDB01274 Cholestane-3,22-diol; (3β,5α,20S,22S)-form
20117-28-6
C27H48O2
404.66882
TMDB01275 Cholestane-3,22,23-triol; (3α,5α,22R,23R)-form, 3-Ketone
378795-14-3
C27H48O3
420.66822
TMDB01276 Not Available
378795-15-4
C27H46O3
418.65234
TMDB01277 Cholestane-3,22,23-triol; (3α,5α,22R,23R)-form
378795-16-5
C27H48O3
420.66822
TMDB01278 Cholestane-2,3,22,23-tetrol; (2α,3α,22R,23R)-form
169624-26-4
C27H48O4
436.66762
TMDB01279 2',4',6'-Trihydroxyacetophenone; 2',4'-Di-Me ether
90-24-4
C10H12O4
196.19988
TMDB00128 3,3',4',5,7-Pentahydroxyflavan-(4->6)-3,3',4',5,7-pentahydroxyflavan; (2R,2'R,3R,3'R,4R)-form, 3''-Deoxy, 5'''-hydroxy, 3,3'-bis-O-(3,4,5-trihydroxybenzoyl)
126715-93-3
C44H34O20
882.72876
TMDB01280 3,3',4',5,7-Pentahydroxyflavan; (2R,3S)-form, 3-O-(3,4,5-Trihydroxybenzoyl)
25615-05-8
C22H18O10
442.37232
TMDB01282 Dehydrotheasinensin H
Not Available
C37H28O18
760.60742
TMDB01283 Acetonyl Theacitrin A
Not Available
C40H34O19
818.68656
TMDB01284 (+)-Epigallocatechin- (2beta-O-7', 4beta-8')-epicatechin
CRC Number: HSK96-X
C30H24O13
592.50376
TMDB01285 (+)-Gallocatechin-3-O-(4-O-methyl)gallate (GCG4''Me)
Not Available
C23H20O11
472.3983
TMDB01286 2,3,5,7-Tetrahydroxychroman-3-O-gallate
Not Available
C16H14O9
350.27696
TMDB01287 Ethyl 7,8-dioxo-3,5-bis((2R,3R)-3,5,7-trihydroxychroman-2-yl)-7,8-dihydronaphthalene-1-carboxylate
Not Available
C31H26O12
590.53094
TMDB01288 b,h-Dioxo-theaflavin
Not Available
C29H22O12
562.47778
TMDB01289 1,8-Dihydroxy-7-oxo-3,5-bis((2R,3R)-3,5,7-trihydroxychroman-2-yl)-1,7-dihydronaphthalene-1-carboxylic acid
Not Available
C29H24O13
580.49306
TMDB01290 Not Available
Not Available
C60H48O24
1153.00872
TMDB01291 Not Available
Not Available
C60H50O24
1155.0246
TMDB01292 Epicatechin trimer
Not Available
C44H36O18
852.74584
TMDB01293 Epicatechin quinone
Not Available
C15H12O6
288.25218
TMDB01294 Phloretin-3,5-di-C-glucoside
357401-40-2
C27H34O15
598.54986
TMDB01295 Quercetin 3-O-arabinoside
960511-32-4
C20H18O11
434.35032
TMDB01296 Geranylated catechin/epicatechin [(2R,3R)-3,3',4',5,7-Pentahydroxy-6-[6-hydroxy-3,7-dimethyl-2(E),7-octadienyl]flavanone ]
Not Available
C25H28O8
456.48502
TMDB01297 Gallocatechin-3-O-(3''-O-methyl)gallate
Not Available
C23H20O11
472.3983
TMDB01298 Kaempferol 3-glycosides; Diglycosides, 3-O-[α-L-Rhamnopyranosyl-(1->6)-β-D-galactopyranoside]
17297-56-2
C27H30O15
594.5181
TMDB01299 Quercetin 3-glycosides; Disaccharides, 3-O-[α-L-Rhamnopyranosyl-(1->6)-β-D-galactopyranoside]
52525-35-6
C27H30O16
610.5175
TMDB00013 3,5-Bis(3,4,5-trihydroxybenzoyl) 3,3',4',5,5',7-Hexahydroxyflavan (2R,3R)-form
37484-73-4
C29H22O15
610.47598
TMDB01300 Not Available
Not Available
C33H40O19
740.6593
TMDB01301 Quercetin 3-glycosides; Trisaccharides, 3-O-[α-L-Rhamnopyranosyl-(1->2)-[α-L-rhamnopyranosyl-(1->6)]-β-D-glucopyranoside]
55696-57-6
C33H40O20
756.6587
TMDB01302 Quercetin 3-glycosides; Trisaccharides, 3-O-[β-D-Glucopyranosyl-(1->3)-α-L-rhamnopyranosyl-(1->6)-β-D-galactopyranoside]
134953-93-8
C33H40O21
772.6581
TMDB01303 Quercetin 3-O-(2G-p-coumaroyl(trans)-3G-O-beta-L-arabinosyl-3R-O-beta-D-rhamnosylrutinoside
Not Available
C47H54O26
1034.91606
TMDB01304 Kaempferol 3-O-(2G-p-coumaroyl(cis)-3G-O-beta-L-arabinosyl-3R-O-beta-D-glucosylrutinoside
Not Available
C47H54O26
1034.91606
TMDB01305 Kaempferol 3-O-(2G-p-coumaroyl(trans)-3G-O-beta-L-arabinosyl-3R-O-beta-D-glucosylrutinoside
Not Available
C47H54O26
1034.91606
TMDB01306 Kaempferol 3-O-(2G-p-coumaroyl(cis)-3G-O-beta-L-arabinosyl-3R-O-beta-D-glucosylrutinoside
Not Available
C47H54O26
1034.91606
TMDB01307 2-Ethenyl-1,1-dimethyl-3-methylidene-cyclohexane
95452-08-7
C11H18
150.26062
TMDB01309 Gallocatechin 3'-O-gallate
142784-33-6
C22H18O11
458.37172
TMDB01311 3,3',4',5,7-Pentahydroxyflavan(4->8)-3,3',4',5,7-pentahydroxyflavan; (2R,2'R,3S,3'R,4S)-form, 3-O-(3,4,5-Trihydroxybenzoyl)
89064-33-5
C37H30O16
730.6245
TMDB01313 3,3',4',5,5',7-Hexahydroxyflavan-(4->8)-3,3',4',5,5',7-hexahydroxyflavan; (all-R)-form, 3,3'-Bis-O-(3,4,5-trihydroxybenzoyl)
86588-89-8
C44H34O22
914.72756
TMDB01314 2-Methyl-1-butanol; (S)-form, O-β-D-Glucopyranoside
132294-80-5
C11H22O6
250.28878
TMDB01315 Isovitexin; 2''-O-β-D-Glucopyranosyl
60767-80-8
C27H30O15
594.5181
TMDB01316 Schaftoside; 2''',3''',4'''-Triepimer
59914-91-9
C26H28O14
564.49212
TMDB01317 3,3',4',5,5',7-Hexahydroxyflavan; (2R,3R)-form, 3-O-(3,4-Dihydroxy-E-cinnamoyl)
122412-14-0
C24H20O10
468.4096
TMDB01319 Gibberellin A1
545-97-1
C19H24O6
348.39026
TMDB01320 Gibberellin A3
77-06-5
C19H22O6
346.37438
TMDB01321 Gibberellin A12
1164-45-0
C20H28O4
332.43392
TMDB01322 Gibberellin A15
13744-18-8
C20H26O4
330.41804
TMDB01323 Gibberellin A19
6980-44-5
C20H26O6
362.41684
TMDB01324 Gibberellin A20
19143-87-4
C19H24O5
332.39086
TMDB01325 Gibberellin A44; 3β-Hydroxy
36434-14-7
C20H26O6
362.41684
TMDB01326 Gibberellin A9; 2β-Hydroxy
56978-14-4
C19H24O5
332.39086
TMDB01327 Gibberellin A53
51576-08-0
C20H28O5
348.43332
TMDB01328 3,3',4',5,7-Pentahydroxyflavanone; (2R,3R)-form
480-18-2
C15H12O7
304.25158
TMDB01329 Cyanidin 3,5-diglycosides; 3,5-Di-O-β-D-glucopyranoside
2611-67-8
C27H31O16
611.52489
TMDB01330 Theaflavin 3,3',5,5'-tetra-O-gallate
Not Available
C57H40O28
1172.9107
TMDB01331 Theaflavin 3,3',5-tri-O-gallate
Not Available
C50H36O24
1020.80644
TMDB01332 Theaflavin 3,3',5'-tri-O-gallate
Not Available
C50H36O24
1020.80644
TMDB01333 2-Methyl-5,7-dihydroxy-chromone-7-O-beta-D-glucopyranoside
Not Available
C16H18O8
338.30932
TMDB01334 2-O-beta-D-glucopyranoside-(1R)-phenylethylene glycol
Not Available
C14H20O7
300.3044
TMDB01335 Procyanidin B4 3'-O-gallate, Epicatecin-(4alpha-8)-catechin gallate
Not Available
C37H30O16
730.6245
TMDB01336 1',2'-Threo-1',2'-dihydroxy-β-ionone
Not Available
C13H22O3
226.31198
TMDB01337 3-Hydroxy-9,10-dinor-6-megastigmen-8,5-olide; (3S,5R)-form
5989-02-6
C11H16O3
196.24294
TMDB01338 6,9-Dihydroxy-4,7-megastigmadien-3-one; (6S,7E,9R)-form, 9-Ketone
15764-81-5
C13H18O3
222.28022
TMDB01339 2,6-Dimethyl-3,7-octadiene-2,6-diol
13741-21-4
C10H18O2
170.24872
TMDB01340 3-Methylbutanoic acid; Et ester
108-64-5
C7H14O2
130.18486
TMDB01341 1-Hepten-3-one
2918-13-0
C7H12O
112.16958
TMDB01342 4-Heptenal; (Z)-form
6728-31-0
C7H12O
112.16958
TMDB01343 2-Methyl-3-furanthiol
28588-74-1
C5H6OS
114.16554
TMDB01344 1-Octen-3-one
4312-99-6
C8H14O
126.19616
TMDB01345 2-Acetyl-1-pyrroline
99583-29-6
C6H9NO
111.14176
TMDB01346 1,5-Octadien-3-one; (Z)-form
65767-22-8
C8H12O
124.18028
TMDB01347 4-Mercapto-4-methyl-2-pentanone
19872-52-7
C6H12OS
132.22388
TMDB01348 3-(Methylthio)propanal
3268-49-3
C4H8OS
104.17072
TMDB01349 2-Methoxy-3-(2-methylpropyl)pyrazine
24683-00-9
C9H14N2O
166.22026
TMDB01350 2-Acetylpyrazine
22047-52-2
C6H6N2O
122.12464
TMDB01351 3,7-Dimethyl-2,6-octadienoic acid; (E)-form, Me ester
1189-09-9
C11H18O2
182.25942
TMDB01352 2-Acetyl-4,5-dihydrothiazole
29926-41-8
C5H7NOS
129.18018
TMDB01353 4-Hydroxy-2,5-dimethyl-3(2H)-furanone
3658-77-3
C6H8O3
128.12592
TMDB01354 1,3(15),6,10-Farnesatetraene; (E)-form
18794-84-8
C15H24
204.35106
TMDB01355 N-(2-Hydroxyphenyl)-2-pyrrolidinone
19734-02-2
C10H11NO2
177.19984
TMDB01356 4'-Hydroxyacetophenone
99-93-4
C8H8O2
136.14792
TMDB01357 7,14-Labdadiene-2,13-diol; (2ξ,13ξ)-form
73947-03-2
C13H14O5
250.24726
TMDB01358 p-Hydroxy ethyl cinnamate
Not Available
C11H12O3
192.21118
TMDB01359 Ethyl 4-(sulfooxy) benzoate
Not Available
C9H10O6S
246.2371
TMDB01360 (+)-Matairesinol
120409-94-1
C20H22O6
358.38508
TMDB01361 3,3',4,4',5,5'-Hexahydroxy-7,9':7',9-diepoxylignan; (7R,7'S,8R,8'R)-form, 3,3',5,5'-Tetra-Me ether
21453-71-4
C22H26O8
418.43704
TMDB01362 4'-O-Palmitoyl EGCG
Not Available
C38H48O12
696.78052
TMDB01363 3'-O-Palmitoyl EGCG
Not Available
C38H48O12
696.78052
TMDB01364 4'-O-Palmitoyl GCG
Not Available
C38H48O12
696.78052
TMDB01365 3"-O-Palmitoyl-GCG
Not Available
C38H48O12
696.78052
TMDB01366 5-O-Palmitoyl GCG
Not Available
C38H48O12
696.78052
TMDB01367 4"-O-Palmitoyl-EGCG
Not Available
C38H48O12
696.78052
TMDB01368 3"-O-Palmitoyl-EGCG
Not Available
C38H48O12
696.78052
TMDB01369 4"-O-Palmitoyl-GCG
Not Available
C38H48O12
696.78052
TMDB00137 1-Galloylglucose; β-D-Pyranose-form
13405-60-2
C13H16O10
332.26014
TMDB01370 3-O-Palmitoyl EC
Not Available
C31H44O7
528.67686
TMDB01371 5-O-Palmitoyl EGCG
Not Available
C38H48O12
696.78052
TMDB01372 3-O-Palmitoyl GC
Not Available
C31H44O8
544.67626
TMDB01373 3"-O-Palmitoyl CG
Not Available
C38H48O11
680.78112
TMDB01374 7-O-Palmitoyl EGCG
Not Available
C38H48O12
696.78052
TMDB01375 7-O-Palmitoyl GCG
Not Available
C38H48O12
696.78052
TMDB01376 5-O-Palmitoyl ECG
Not Available
C38H48O11
680.78112
TMDB01377 3’-O-Palmitoyl ECG
Not Available
C38H48O11
680.78112
TMDB01378 4'-O-Palmitoyl ECG
Not Available
C38H48O11
680.78112
TMDB01379 7-O-Palmitoyl ECG
Not Available
C38H48O11
680.78112
TMDB00138 1,2-Digalloylglucose; β-D-Pyranose-form
115713-50-3
C20H20O14
484.3644
TMDB01380 3-O-Palmitoyl C
Not Available
C31H44O7
528.67686
TMDB01381 7-O-Palmitoyl CG
Not Available
C38H48O11
680.78112
TMDB01382 3-O-Palmitoyl gallic acid
Not Available
C23H36O6
408.52834
TMDB01383 4-O-Palmitoyl gallic acid
Not Available
C23H36O6
408.52834
TMDB01384 2-O-Palmitoyl pyrogallol
Not Available
C22H36O4
364.521884
TMDB01385 1-O-Palmitoyl pyrogallol
Not Available
C22H36O4
364.51884
TMDB01386 5-O-Palmitoyl CG
Not Available
C38H48O11
680.78112
TMDB01389 4-Methylthiazole
693-95-8
C4H5NS
99.1542
TMDB00139 6-Galloylglucose
CRC Number: LNF90-B
C13H16O10
332.26014
TMDB01390 2-Methylcyclopentanone
1120-72-5
C6H10O
98.143
TMDB01391 Trimethylisothiazole
39228-36-9
C6H9NS
127.20736
TMDB01392 3-Copaene; (1βH,6βH,7αH)-form
3856-25-5
C15H24
204.35106
TMDB01393 1,3,5,9-Cadinatetraene; 7αH-form
21391-99-1
C15H20
200.3193
TMDB01394 6,10,14-Trimethyl-2-pentadecanone; (ξ)-form
502-69-2
C9H16O
140.22274
TMDB01395 1-Phyten-3-ol
505-32-8
C20H40O
296.531
TMDB01396 Heneicosane
629-94-7
C21H44
296.57406
TMDB01397 Docosane
629-97-0
C22H46
310.60064
TMDB01398 Pentacosane
629-99-2
C25H52
352.68038
TMDB01399 Hexacosane
630-01-3
C26H54
366.70696
TMDB00014 3-O-(3,4-Dihydroxy-5-methoxybenzoyl)3,3',4',5,5',7-Hexahydroxyflavan (2R,3R)-form
83104-87-4
C23H20O11
472.3983
TMDB00140 2,6-Digalloylglucose
94356-20-4
C20H20O14
484.3644
TMDB01400 Octacosane
630-02-4
C28H58
394.76012
TMDB01401 2,4-Pentanedione
123-54-6
C5H8O2
100.11582
TMDB01402 2-Pentanol
6032-29-7
C5H12O
88.14818
TMDB01403 2-Bornanol; (1S,2R)-form, Ac
5655-61-8
C12H20O2
196.286
TMDB01404 1-Decanol
112-30-1
C10H22O
158.28108
TMDB01405 2,4-Pentadienal
764-40-9
C5H6O
82.10054
TMDB01406 1,4-Dimethylbenzene
106-42-3
C8H10
106.165
TMDB01407 1,2-Dimethylbenzene
95-47-6
C8H10
106.165
TMDB01408 7-Methyl-1,6-dioxaspiro[4.5]decane
68108-90-7
C9H16O2
156.22214
TMDB01409 3,7-Dimethyl-1,5,7-octatrien-3-ol; (R,E)-form
20053-88-7
C10H16O
152.23344
TMDB00141 1,3-Digalloylglucose; β-D-Pyranose-form
85138-58-5
C20H20O14
484.3644
TMDB01410 (3E)-4,8-Dimethylnona-1,3,7-triene
51911-82-1
C11H18
150.26062
TMDB01411 (E, Z)-3,6-Nonadien-1-ol
56805-23-3, 53250-56-9
C9H16O
140.22274
TMDB01412 2,5-Dimethyl-2,6-Heptadiene
Not Available
C9H16
124.22334
TMDB01413 2,6-Dimethyl-1,7-octadien-3-ol
22460-59-9
C10H18O
154.24932
TMDB01414 9-Octadecene
5557-31-3, 7206-25-9
C18H36
252.47844
TMDB01415 1,3,5-Benzenetriol; Tri-Me ether
621-23-8
C9H12O3
168.18978
TMDB01416 4,8-Dimethyl-undecane
Not Available
C13H28
184.36142
TMDB01417 1(10),4,11-Germacratriene; (1(10)E,4E)-form
28387-44-2
C15H22
202.33518
TMDB01418 2-Dodecanone
6175-49-1
C12H24O
184.31836
TMDB01419 Actinidiolide
17063-17-1
C11H14O2
178.22766
TMDB00142 1,2,3,4-tetragalloylglucose; β-D-Pyranose-form
Not Available
C34H28O22
788.57292
TMDB01420 6-Acetoxydihydrotheaspirane
57893-27-3
C15H26O3
254.36514
TMDB01421 Phenanthrene
85-01-8
C14H10
178.2292
TMDB01422 1-Eicosanol
629-96-9
C20H42O
298.54688
TMDB01423 Tetradecanoic acid; Isopropyl ester
110-27-0
C17H34O2
270.45066
TMDB01424 9,12-Octadecadienoic acid; (Z,Z)-form, Me ester
112-63-0
C19H34O2
294.47206
TMDB00143 3,3',4',5,7-Pentahydroxyflavan-(4->8)-3,3',4',5,7-pentahydroxyflavan; (2R,2'R,3R,3'R,4R)-form, 3''-Deoxy, 5'''-hydroxy, 3,3'-bis-O-(3,4,5-trihydroxybenzoyl)
Not Available
C44H34O20
882.72876
TMDB00144 (-)-epigallocatechin gallate dimer
Not Available
C43H34O20
870.71806
TMDB01441 6,7-Megastigmadiene-3,5,9-triol; (3β,5α,7R,9S)-form, 9-O-β-D-Glucopyranoside
509092-93-7
C19H32O8
388.45258
TMDB01442 5-Megastigmen-7-yne-3,9-diol; 9-O-β-D-Glucopyranoside
62512-26-9
C19H30O7
370.4373
TMDB01443 5-Megastigmen-7-yne-3,9-diol; 3-O-β-D-Glucopyranoside
62512-27-0
C19H30O7
370.4373
TMDB01444 2-Phenylethanol; O-β-D-Glucopyranoside
18997-54-1
C14H20O6
284.305
TMDB01445 Methyl 2-hydroxybenzoate; O-β-D-Glucopyranoside
10019-60-0
C14H18O8
314.28792
TMDB01446 Linalool oxide II (trans furanoid) beta-D-glucopyranoside
Not Available
C16H28O7
332.38932
TMDB01447 Linalool oxide III beta-D-glucopyranoside
Not Available
C16H28O7
332.38932
TMDB01448 Linalool oxide IV beta-D-glucopyranoside
Not Available
C16H28O7
332.38932
TMDB01449 Linalool oxide III primeveroside, Linalool oxide C primeveroside
Not Available
C21H36O11
464.50394
TMDB00145 Dehydrotheasinensin E
Not Available
C31H26O13
606.53034
TMDB01450 Linalyl oxide; O-[β-D-Xylopyranosyl-(1->6)-β-D-glucopyranoside]
158799-49-6
C21H36O11
464.50394
TMDB01451 3,4,5-Trihydroxybenzoic acid; 3-Me ether
3934-84-7
C8H8O5
184.14996
TMDB00146 Desgalloyloolongtheanin
Not Available
C29H24O13
580.49306
TMDB01465 8-C-ascorbyl (-)-epigallocatechin
Not Available
C21H20O13
480.38575
TMDB01466 (-)-Gallocatechin 3,5-di-O-gallate
Not Available
C29H22O15
610.48969
TMDB01467 3,3',4',5,5',7-Hexahydroxyflavan-(4->8)-3,3',4',5,5',7-hexahydroxyflavan; (all-R)-form
87392-61-8
C30H26O14
610.53332
TMDB01468 3,3',4',5,5',7-Hexahydroxyflavan-(4->8)-3,3',4',5,5',7-hexahydroxyflavan; (all-R)-form, 3,3'-Bis-O-(3,4,5-trihydroxybenzoyl)
86588-89-8
C44H34O22
914.74838
TMDB01469 (+)-Catechin (4alfa-8)-(-)-epigallocatechin 3-O-gallate
Not Available
C37H30O17
746.64145
TMDB00147 (-)-Epigallocatechin gallate quinone dimer A
Not Available
C44H34O23
930.72696
TMDB01470 Monodesgalloyl oolonghomobisflavan A
Not Available
C38H32O18
776.66794
TMDB01471 6,8'-Methylenebisepigallocatechin.
Not Available
C31H28O14
624.56041
TMDB01472 Oolongtheanin 3'-O-gallate
Not Available
C43H32O21
884.72189
TMDB01473 Dehydrodicatechin A
36048-23-4
C30H24O12
576.51858
TMDB00148 Galloyl oolongtheanin I
Not Available
C44H34O23
930.72696
TMDB00149 Dehydrotheasinensin AQ
Not Available
C44H32O22
912.71168
TMDB00015 3-O-(3,5-Dihydroxy-4-methoxybenzoyl)3,3',4',5,5',7-Hexahydroxyflavan (2R,3R)-form
224434-07-5
C23H20O11
472.3983
TMDB00150 (-)-Epigallocatechin gallate quinone dimer B
Not Available
C44H34O23
930.72696
TMDB00151 (-)-Epigallocatechin gallate trimer
Not Available
C66H50O33
1371.0834
TMDB00152 Dehydrotheasinensin C
894417-13-1
C30H26O15
626.51844
TMDB00153 (-)-Epigallocatechin quinone dimer A
Not Available
C30H26O15
626.51844
TMDB00154 8-(N-Ethyl-5-oxo-2-pyrrolidinyl)theasinensin A
858859-35-5
C50H43NO23
1025.86932
TMDB00155 Theacitrin-3-O-gallate
Not Available
C36H28O18
748.59672
TMDB00156 Theacitrinin B
Not Available
C37H28O18
760.60742
TMDB00157 Theacitrinin A
Not Available
C28H20O14
580.45
TMDB00158 3,3',4',5,5',7-Hexahydroxyflavan-(2->7,4->8)-3,3',4',5,7-pentahydroxyflavan; (all-R)-form, 3'-O-(3,4,5-Trihydroxybenzoyl)
1075709-61-3
C37H28O17
744.60802
TMDB00159 3,3',4',5,5',7-Hexahydroxyflavanone; (2RS,3RS)-form
119565-96-7, 27200-12-0
C15H12O8
320.25098
TMDB00160 3,3',4',5,5',7-Hexahydroxyflavone; 3-O-β-D-Galactopyranoside
15648-86-9
C21H20O13
480.3757
TMDB00161 Kaempferol 3-glycosides; Diglycosides, 3-O-[β-D-Galactopyranosyl-(1->2)-β-D-glucopyranoside]
152390-63-1, 31512-06-8
C27H30O16
610.5175
TMDB00162 Kaempferol 3-glycosides; Triglycosides, 3-O-[β-D-Xylopyranosyl-(1->2)-[α-L-rhamnopyranosyl-(1->6)]-β-D-glucopyranoside]
131573-90-5
C32H38O19
726.63272
TMDB00163 Kaempferol 3-glycosides; Triglycosides, 3-O-[α-L-Rhamnopyranosyl-(1->3)-α-L-rhamnopyranosyl-(1->6)-β-D-glucopyranoside]
312731-16-1
C33H40O19
740.6593
TMDB00164 Kaempferol 3-glycosides; Triglycosides, 3-O-[α-L-Rhamnopyranosyl-(1->3)-4-O-acetyl-α-L-rhamnopyranosyl-(1->6)-β-D-glucopyranoside]
312731-17-2
C35H42O20
782.69598
TMDB00165 Kaempferol 3-glycosides; Triglycosides, 3-O-[β-D-Glucopyranosyl-(1->3)-α-L-rhamnopyranosyl-(1->6)-β-D-glucopyranoside]
136449-09-7
C33H40O20
756.6587
TMDB00166 3,4',5,7,8-Pentahydroxyflavone; 7-Me ether
24487-56-7
C16H12O7
316.26228
TMDB00167 3,4',5,7,8-Pentahydroxyflavone; 7-Me ether, 3-O-β-D-glucopyranoside
30484-94-7
C22H22O12
478.40288
TMDB00168 3,4',5,7,8-Pentahydroxyflavone; 7-Me ether, 3-O-[α-L-rhamnopyranosyl-(1->6)-β-D-glucopyranoside]
25134-24-1
C28H32O16
624.54408
TMDB00169 Quercetin 3-glycosides; Trisaccharides, 3-O-[β-D-Glucopyranosyl-(1->3)-α-L-rhamnopyranosyl-(1->6)-β-D-galactopyranoside]
134953-93-8
C33H40O21
772.6581
TMDB00017 3,3',4',5,5',7-Hexahydroxyflavan; (2R,3R)-form, 3-O-Z-Cinnamoyl
Not Available
C24H20O9
452.4102
TMDB00170 Quercetin 3-glycosides; Trisaccharides, 3-O-[β-D-Glucopyranosyl-(1->3)-α-L-rhamnopyranosyl-(1->6)-β-D-glucopyranoside]
136449-10-0
C33H40O21
772.6581
TMDB00171 Quercetin 3-glycosides; Tetra- and higher saccharides, 3-O-[β-D-Glucopyranosyl-(1->3)-α-L-rhamnopyranosyl-(1->6)-[4-hydroxy-E-cinnamoyl-(->2)][β-L-arabinopyranosyl-(1->3)]-β-D-glucopyranoside]
732984-82-6
C47H54O27
1050.91546
TMDB00172 5-O-Methylquercetin
529-51-1
C16H12O7
316.26984
TMDB00173 Vitexin; 2''-α-L-Rhamnopyranosyl
64820-99-1
C27H30O14
578.5187
TMDB00174 3,3',4',5,5',7-Hexahydroxyflavone; 3'-O-β-D-Glucopyranoside
520-14-9
C21H20O13
480.3757
TMDB00175 Kaempferol 3-glycosides; Triglycosides, 3-O-[β-D-Glucopyranosyl-(1->2)-[α-L-rhamnopyranosyl-(1->6)]-β-D-glucopyranoside]
55696-58-7
C33H40O20
756.6587
TMDB00179 4',5,7-Trihydroxyflavone; 5-O-[α-L-Rhamnopyranosyl-(1->4)-β-D-glucopyranoside]
109232-76-0, 17650-84-9
C27H30O14
578.5187
TMDB00180 4',5,7-Trihydroxyflavone; 5-O-[α-L-Rhamnopyranosyl-(1->4)-6-O-acetyl-β-D-glucopyranoside]
109232-77-1
C29H32O15
620.55538
TMDB00181 3,3',4',5,7-Pentahydroxyflavone
117-39-5
C15H10O7
302.2357
TMDB00182 3,4',5,7-Tetrahydroxyflavone
520-18-3
C15H10O6
286.2363
TMDB00183 Rutin
153-18-4
C27H30O16
610.5175
TMDB00184 Vitexin
3681-93-4
C21H20O10
432.3775
TMDB00185 Isovitexin
38953-85-4
C21H20O10
432.3775
TMDB00186 Astragalin
480-10-4
C21H20O11
448.3769
TMDB00187 4',5,7-Trihydroxyflavone
520-36-5
C15H10O5
270.2369
TMDB00188 3,3',4',5,5',7-Hexahydroxyflavone
529-44-2
C15H10O8
318.2351
TMDB00189 Vicenin 2
23666-13-9
C27H30O15
594.5181
TMDB00019 3,3',4',5,7-Pentahydroxyflavan; (2R,3R)-form, 3,5-Bis(3,4,5-trihydroxybenzoyl)
37484-74-5
C29H22O14
594.47658
TMDB00190 3',4',5,5',7-Pentahydroxyflavone
520-31-0
C15H10O7
302.2357
TMDB00191 3,3',4',5,5',7-Hexahydroxyflavone; 3-O-β-D-Galactopyranoside
15648-86-9
C21H20O13
480.3757
TMDB00192 3,3',4',5,5',7-Hexahydroxyflavone; 3-O-β-D-Glucopyranoside
19833-12-6
C21H20O13
480.3757
TMDB00193 3,3',4',5,5',7-Hexahydroxyflavone; 3-O-[α-L-Rhamnopyranosyl-(1->6)-β-D-glucopyranoside]
41093-68-9
C27H30O17
626.5169
TMDB00194 Quercetin 3-glycosides; Monosaccharides, 3-O-α-L-Rhamnofuranoside
5088-73-3
C21H20O11
448.3769
TMDB00195 Quercetin 3-glycosides; Monosaccharides, 3-O-α-L-Rhamnopyranoside
522-12-3
C21H20O11
448.3769
TMDB00196 Quercetin 3-glycosides; Monosaccharides, 3-O-β-D-Galactofuranoside
35589-21-0
C21H20O12
464.3763
TMDB00197 Quercetin 3-glycosides; Monosaccharides, 3-O-β-D-Galactopyranoside
482-36-0
C21H20O12
464.3763
TMDB00198 Quercetin 3-glycosides; Monosaccharides, 3-O-β-D-Glucopyranoside
482-35-9
C21H20O12
464.3763
TMDB00199 3,3',4',5,5',7-Hexahydroxyflavone; 3-O-[α-L-Rhamnopyranosyl-(1->6)-β-D-galactopyranoside]
145544-43-0
C27H30O17
626.5169
TMDB00002 3,3',4',5,7-Pentahydroxyflavan (2R,3S)-form
154-23-4
C15H14O6
290.26806
TMDB00020 3,3',4',5,7-Pentahydroxyflavan; (2R,3R)-form, 3-O-(3,4-Dihydroxy-5-methoxybenzoyl)
83104-86-3
C23H20O10
456.3989
TMDB00200 Kaempferol 3,7-diglycosides; 3,7-Di-O-α-L-Rhamnopyranoside
482-38-2
C27H30O14
578.5187
TMDB00201 Kaempferol 3-glycosides; Diglycosides, 3-O-[α-L-Rhamnopyranosyl-(1->6)-β-D-glucopyranoside]
17650-84-9
C27H30O15
594.5181
TMDB00202 Quercetin 7-glycosides; 7-O-β-D-Glucopyranoside
491-50-9
C21H20O12
464.3763
TMDB00203 3',4',5,7-Tetrahydroxyflavone
491-70-3
C15H10O6
286.2363
TMDB00204 3,4',5,7-Tetrahydroxyflavanone
5150-32-3
C15H12O6
288.25218
TMDB00205 Kaempferol 3-glycosides; Monoglycosides, 3-O-β-D-Galactopyranoside
23627-87-4
C21H20O11
448.3769
TMDB00206 Kaempferol 3-glycosides; Triglycosides, 3-O-[β-D-Glucopyranosyl-(1->3)-α-L-rhamnopyranosyl-(1->6)-β-D-galactopyranoside]
134953-94-9
C33H40O20
756.6587
TMDB00207 Kaempferol 3-glycosides; Triglycosides, 3-O-[β-D-Galactopyranosyl-(1->2)-[α-L-rhamnopyranosyl-(1->6)]-β-D-glucopyranoside]
135095-52-2
C33H40O20
756.6587
TMDB00208 Isoschaftoside
52012-29-0
C26H28O14
564.49212
TMDB00209 Kaempferol 3-glycosides; Tetra- and higher glycosides, 3-O-[β-D-Glucopyranosyl-(1->3)-α-L-rhamnopyranosyl-(1->6)-[β-D-glucopyranosyl-(1->3)][4-hydroxy-E-cinnamoyl-(->2)]-β-D-glucopyranoside]
1063877-20-2
C48H56O27
1064.94204
TMDB00210 Astragalin; 2''-O-(4-Hydroxy-E-cinnamoyl)
137018-32-7
C30H26O13
594.51964
TMDB00212 3,3',4',5,5',7-Hexahydroxyflavone; 3-O-[β-D-Glucopyranosyl-(1->3)-α-L-rhamnopyranosyl-(1->6)-β-D-glucopyranoside]
1253596-86-9
C33H40O22
788.6575
TMDB00217 Quercetin 3-O-[2-O"-(E)-p-coumaroyl][ β-D-glucopyranosyl(1->3)-α-L-rhamnopyranosyl(1->6)]-β-D-glucoside
Not Available
C42H46O23
918.80084
TMDB00218 Quercetin 3-O-[α-L-arabinopyranosyl(1->3)][2-O"-(E)-p-coumaroyl][ α-L-rhamnopyranosyl(1->6)]- β-D-glucoside
Not Available
C41H44O22
888.77486
TMDB00219 Quercetin 3-glycosides; Disaccharides, 3-O-[α-L-Rhamnopyranosyl-(1->6)-[4-hydroxy-E-cinnamoyl-(->2)]-β-D-glucopyranoside]
194292-73-4
C36H36O18
756.66024
TMDB00220 Quercetin 3-glycosides; Tetra- and higher saccharides, 3-O-[4-Hydroxy-E-cinnamoyl-(->2)-[β-D-glucopyranosyl-(1->3)-α-L-rhamnopyranosyl-(1->6)][β-D-glucopyranosyl-(1->3)]-β-D-glucopyranoside]
1063877-18-8
C48H56O28
1080.94144
TMDB00221 4',5,7-Trihydroxyflavanone; (S)-form
480-41-1
C15H12O5
272.25278
TMDB00222 (2R)-2-hydroxy- 3-(2,4,6-trihydroxyphenyl)-1-(3,4,5-trihydroxyphenyl)-1-propanone 2-O-gallate
Not Available
C22H18O12
474.37112
TMDB00223 Delphinidin 3-O-β-D-(6-p-coumaroylgalactoside)
339080-03-4
C30H27O14
611.52643
TMDB00224 3,3',4',5,7-Pentahydroxyflavylium(1+)
13306-05-3
C15H11O6
287.24369
TMDB00225 3',4',5,5',7-Pentahydroxyflavylium(1+)
65618-21-5
C15H11O6
287.24369
TMDB00226 3,4',5,7-Tetrahydroxyflavylium(1+)
134-04-3
C15H11O5
271.24429
TMDB00227 3,3',4',5,5',7-Hexahydroxyflavylium(1+)
528-53-0
C15H11O7
303.24309
TMDB00228 Cyanidin 3-glycosides; Monosaccharides, 3-O-β-D-Galactopyranoside
27661-36-5
C21H21O11
449.38429
TMDB00229 Delphinidin 3-glycosides; 3-O-β-D-Galactopyranoside
68852-84-6
C21H21O12
465.38369
TMDB00230 3,3',4,4',5,7-Hexahydroxyflavan
480-17-1
C15H14O7
306.26746
TMDB00231 2-(3,4-Dihydroxyphenyl)-3,4-dihydro-2H-benzopyran-3,4,5,7-tetrol. Leucocyanidin. Leucanthocyanidol. Leucocyanidol. Leucocianidol. Pygnoforton. Pyknogenol. Procyanidol.
491-52-1
C15H14O8
322.26686
TMDB00232 Chlorophyll a
479-61-8
C55H72MgN4O5
893.48898
TMDB00233 Chlorophyll b
519-62-0
C55H70MgN4O6
907.4725
TMDB00236 α-Carotene
432-70-2
C40H56
536.87264
TMDB00237 β-Carotene
7235-40-7
C40H56
536.87264
TMDB00238 Lycopene; (all-E)-form
502-65-8
C40H56
536.87264
TMDB00239 7,7',8,8',11,12-Hexahydrolycopene; 15Z-form
27664-65-9
C40H62
542.92028
TMDB00240 γ-Carotene; 7',8'-Dihydro
514-90-9
C40H58
538.88852
TMDB00241 Lutein
127-40-2
C40H56O2
568.87144
TMDB00242 Zeaxanthin; (3R,3'R, all-E)-form
144-68-3
C40H56O2
568.87144
TMDB00243 β-Cryptoxanthin
472-70-8
C40H56O
552.87204
TMDB00244 β-Cryptoxanthin; 5R,6S-Epoxide
188116-19-0
C40H56O2
568.87144
TMDB00245 Violaxanthin; (all-E)-form
126-29-4
C40H56O3
584.87084
TMDB00246 Cryptoxanthin 5,6:5',8'-diepoxide
55965-22-5
C40H56O3
584.87084
TMDB00247 Antheraxanthin; (3S,3'R,5S,6R,9E)-form
25494-44-4
C40H56O3
584.87084
TMDB00248 Violaxanthin; (all-E)-form
126-29-4
C40H56O4
600.87024
TMDB00249 Neoxanthin; (9'Z)-form
14660-91-4
C40H56O4
600.87024
TMDB00025 3,3',4',5,7-Pentahydroxyflavan; (2S,3R)-form
18829-70-4
C15H14O6
290.26806
TMDB00250 Mutatochrome
515-06-0
C40H56O
552.87204
TMDB00251 Ascorbic acid; L-form
50-81-7
C6H8O6
176.12412
TMDB00252 3-Pyridinecarboxylic acid
59-67-6
C6H5NO2
123.1094
TMDB00253 Thiamine
70-16-6
C12H17N4OS
265.35403
TMDB00254 Riboflavine
83-88-5
C17H20N4O6
376.3639
TMDB00255 3-Pyridinecarboxamide
98-92-0
C6H6N2O
122.12464
TMDB00256 Pantothenic acid; (R)-form
79-83-4
C9H17NO5
219.23498
TMDB00257 9,10-Seco-5,7,10(19)-stigmastatrien-3-ol; (3S,5Z,7E)-form
71761-06-3
C29H48O
412.69082
TMDB00258 Pyridoxine
65-23-6
C8H11NO3
169.17784
TMDB00259 Pteroylglutamic acid
59-30-3
C19H19N7O6
441.39746
TMDB00260 myo-Inositol
87-89-8
C6H12O6
180.15588
TMDB00261 S-Methylmethionine; (S)-form, Chloride
1115-84-0
C6H14ClNO2S
199.69886
TMDB00262 9,10-Secoergosta-5,7,10(19),22-tetraen-3-ol; (3S,5Z,7E,22E)-form
50-14-6
C28H44O
396.64836
TMDB00263 9,10-Secocholesta-5,7,10(19)-trien-3-ol; (3S,5Z,7E)-form
67-97-0
C27H44O
384.63766
TMDB00264 9,10-Secoergosta-5,7,10(19)-trien-3-ol; (3S,5Z,7E)-form
511-28-4
C28H46O
398.66424
TMDB00265 α-Tocopherol
364-50-1
C29H50O2
430.7061
TMDB00266 Biotin
58-85-5
C10H16N2O3S
244.31064
TMDB00267 Auroxanthin; 3,3'-Dideoxy
6821-09-6
C40H56O2
568.87144
TMDB00268 Vitamin K1
84-80-0
C31H46O2
450.69574
TMDB00269 Vitamin K2; Vitamin K2(25)
1182-68-9
C36H48O2
512.76512
TMDB00270 α-Tocopherolhydroquinone; 1,4-Quinone
7559-04-8
C29H50O3
446.7055
TMDB00271 Glucose; D-form
50-99-7
C6H12O6
180.15588
TMDB00272 Galactose
26566-61-0
C6H12O6
180.15588
TMDB00273 Mannose; D-form
3458-28-4
C6H12O6
180.15588
TMDB00274 D-Fructose
53188-23-1
C6H12O6
180.15588
TMDB00275 Sucrose
57-50-1
C12H22O11
342.29648
TMDB00276 D-Maltose
69-79-4
C12H22O11
342.29648
TMDB00277 Raffinose
512-69-6
C18H32O16
504.43708
TMDB00278 Stachyose
470-55-3
C24H42O21
666.57768
TMDB00279 L-Arabinose
5328-37-0
C5H10O5
150.1299
TMDB00280 2-O-(β-L-Arabinopyranosyl)-myo-inositol
110107-23-8
C11H20O11
328.2699
TMDB00281 Glyceraldehyde
56-82-6
C3H6O3
90.07794
TMDB00282 1,3-Dihydroxy-2-propanone
96-26-4
C3H6O3
90.07794
TMDB00283 manno-2-Heptulose; D-form
3615-44-9
C7H14O7
210.18186
TMDB00284 altro-2-Heptulose; D-form
3019-74-7
C7H14O7
210.18186
TMDB00286 4-Guanidinobutanoic acid
463-00-3
C5H11N3O2
145.15974
TMDB00287 L-Theanine
3081-61-6
C7H14N2O3
174.19766
TMDB00288 L-Glycine
56-40-6
C2H5NO2
75.0666
TMDB00289 L-Alanine
56-41-7
C3H7NO2
89.09318
TMDB00290 L-Valine
72-18-4
C5H11NO2
117.14634
TMDB00291 L-Leucine
61-90-5
C6H13NO2
131.17292
TMDB00292 L-Isoleucine
73-32-5
C6H13NO2
131.17292
TMDB00293 L-Serine
6898-95-9
C3H7NO3
105.09258
TMDB00294 L-Threonine
72-19-5
C4H9NO3
119.11916
TMDB00295 L-Aspartic acid
56-84-8
C4H7NO4
133.10268
TMDB00296 L-Glutamic acid
617-65-2
C5H9NO4
147.12926
TMDB00297 L-Asparagine
70-47-3
C4H8N2O3
132.11792
TMDB00298 L-Glutamine
56-85-9
C5H10N2O3
146.1445
TMDB00299 L-Lysine
56-87-1
C6H14N2O2
146.18756
TMDB00003 3,3',4',5,7-Pentahydroxyflavan (2R,3R)-form
490-46-0
C15H14O6
290.26806
TMDB00030 3,3',4',5,7-Pentahydroxyflavan; (2S,3R)-form, 3-O-(3,4,5-Trihydroxybenzoyl)
130405-40-2
C22H18O10
442.37232
TMDB00300 L-Arginine
74-79-3
C6H14N4O2
174.20096
TMDB00301 L-Histidine
71-00-1
C6H9N3O2
155.15456
TMDB00302 L-Cysteine
52-90-4
C3H7NO2S
121.15818
TMDB00303 L-Methionine
63-68-3
C5H11NO2S
149.21134
TMDB00304 L-Phenylalanine
63-91-2
C9H11NO2
165.18914
TMDB00305 L-Tyrosine
60-18-4
C9H11NO3
181.18854
TMDB00306 L-Tryptophan
73-22-3
C11H12N2O2
204.22518
TMDB00307 1,3,5-Benzenetriol
108-73-6
C6H6O3
126.11004
TMDB00308 2-Piperidinecarboxylic acid
535-75-1
C6H11NO2
129.15704
TMDB00309 Glutamine; (S)-form, Me ester
32668-14-7
C6H12N2O3
160.17108
TMDB00031 3,3',4',5,5',7-Hexahydroxyflavan; (2R,3S)-form, 3-O-(3,4,5-Trihydroxybenzoyl)
5127-64-0
C22H18O11
458.37172
TMDB00310 4-Aminobutanoic acid
56-12-2
C4H9NO2
103.11976
TMDB00311 Asparagine; (S)-form, N-Et
7195-20-2
C6H12N2O3
160.17108
TMDB00312 3-Aminopropanoic acid
107-95-9
C3H7NO2
89.09318
TMDB00313 Phenylacetic acid; Nitrile
140-29-4
C8H7N
117.14788
TMDB00315 Spermidine; N,N',N''-Tris(4-hydroxy-Z-cinnamoyl)
1111082-14-4
C34H37N3O6
583.67408
TMDB00317 N-Phenyl-2-naphthylamine
135-88-6
C16H13N
219.28112
TMDB00318 2-Acetylpyridine
1122-62-9
C7H7NO
121.13658
TMDB00319 Caffeine
58-08-2
C8H10N4O2
194.1906
TMDB00320 2,6-Dimethylpyridine
108-48-5
C7H9N
107.15306
TMDB00321 2-Ethyl-3,5-dimethylpyrazine
13925-07-0
C8H12N2
136.19428
TMDB00322 5-Ethyl-2-methylpyridine
104-90-5
C8H11N
121.17964
TMDB00323 3-Ethylpyridine
536-78-7
C7H9N
107.15306
TMDB00325 2-Methylbenzothiazole
120-75-2
C8H7NS
149.21288
TMDB00326 2-Methyl-5-(1-propenyl)pyrazine
108653-51-6
C8H10N2
134.1784
TMDB00327 2-Methyl-6-(1-propenyl)pyrazine
104638-11-1
C8H10N2
134.1784
TMDB00328 4-Phenylpyridine
939-23-1
C11H9N
155.19586
TMDB00329 1H-Pyrrole-2-carboxaldehyde
1003-29-8
C5H5NO
95.0993
TMDB00033 (-)-4'-Methyl epigallocatechin-3-O-(4-O-methyl)gallate
Not Available
C24H22O11
486.42488
TMDB00330 Quinoline
91-22-5
C9H7N
129.15858
TMDB00331 Theobromine
83-67-0
C7H8N4O2
180.16402
TMDB00332 Theophylline
58-55-9
C7H8N4O2
180.16402
TMDB00333 Temurin
2309-49-1
C9H12N4O3
224.21658
TMDB00335 Xanthine
69-89-6
C5H4N4O2
152.11086
TMDB00336 Hypoxanthine
68-94-0
C5H4N4O
136.11146
TMDB00337 Paraxanthine
611-59-6
C7H8N4O2
180.16402
TMDB00338 1,2,3-Trihydroxybenzene
87-66-1
C6H6O3
126.11004
TMDB00339 Adenine
73-24-5
C5H5N5
135.1267
TMDB00034 3,3',4',5,5',7-Hexahydroxyflavan; (2R,3R)-form, E-3-O-(4-Hydroxy-E-cinnamoyl)
89013-65-0
C24H20O9
452.4102
TMDB00340 Guanine
73-40-5
C5H5N5O
151.1261
TMDB00341 2,5-Dimethylpyrazine
123-32-0
C6H8N2
108.14112
TMDB00342 Pyridine
110-86-1
C5H5N
79.0999
TMDB00343 Indole
120-72-9
C8H7N
117.14788
TMDB00344 Methylpyrazine
109-08-0
C5H6N2
94.11454
TMDB00345 2,3-Dimethylpyrazine
5910-89-4
C6H8N2
108.14112
TMDB00346 2-Ethyl-6-methylpyrazine
13925-03-6
C7H10N2
122.1677
TMDB00347 2-Ethyl-5-methylpyrazine
13360-64-0
C7H10N2
122.1677
TMDB00348 Trimethylpyrazine
14667-55-1
C7H10N2
122.1677
TMDB00349 Cytosine
71-30-7
C4H5N3O
111.102
TMDB00035 3,3',4',5,5',7-Hexahydroxyflavan; (2S,3R)-form
3371-27-5
C15H14O7
306.26746
TMDB00350 Uracil
66-22-8
C4H4N2O2
112.08676
TMDB00351 5-Methylcytosine
554-01-8
C5H7N3O
125.12858
TMDB00352 Thymine
65-71-4
C5H6N2O2
126.11334
TMDB00353 Indole-3-methyl acetate
1912-33-0
C11H11NO2
189.21054
TMDB00355 Pyrophaeophorbide a
24533-72-0
C33H34N4O3
534.64806
TMDB00356 4-Hydroxybenzoic acid
99-96-7
C7H6O3
138.12074
TMDB00357 Protocatechuic acid
99-50-3
C7H6O4
154.12014
TMDB00358 Caffeic acid
331-39-5
C9H8O4
180.15742
TMDB00359 Ellagic acid
476-66-4
C14H6O8
302.19264
TMDB00036 3'-O-Methyl-(-)-epicatechin 3-O-gallate
Not Available
C23H20O10
456.3989
TMDB00360 m-Digallic acid
536-08-3
C14H10O9
322.2238
TMDB00361 Chlorogenic acid
327-97-9
C16H18O9
354.30872
TMDB00362 3-O-Caffeoylquinic acid; (Z)-form
15016-60-1
C16H18O9
354.30872
TMDB00363 3-(4-Hydroxyphenyl)-2-propenoic acid; (E)-form
501-98-4
C9H8O3
164.15802
TMDB00364 3-O-p-Coumaroylquinic acid
Not Available
C16H18O8
338.30932
TMDB00365 2,6-Di-tert-butyl-4-ethylphenol
4130-42-1
C16H26O
234.37704
TMDB00367 2-Ethylphenol
90-00-6
C8H10O
122.1644
TMDB00368 4-Ethyl-1,2-benzenediol; 2-Me ether
2785-89-9
C9H12O2
152.19038
TMDB00369 Thymol
89-83-8
C10H14O
150.21756
TMDB00037 (R)-6-Oxo-4-((2R,3R)-3,5,7-trihydroxychroman-2-yl)-3,6-dihydro-2H-pyran-2-carboxylic acid
Not Available
C15H14O8
322.26686
TMDB00374 1,2,4-Benzenetriol; 1,2-Di-Me ether
2033-89-8
C8H10O3
154.1632
TMDB00375 Teadenol A
1273593-12-6
C14H12O6
276.24148
TMDB00376 Teadenol B
1273593-15-9
C14H12O6
276.24148
TMDB00379 3,3',4,4',9-Pentahydroxy-7,9'-epoxylignan; (7S,8R,8'R)-form, 3,3'-Di-Me ether
27003-73-2
C20H24O6
360.40096
TMDB00038 Theadibenzotropolone A
476645-32-6
C50H38O21
974.82412
TMDB00380 Pinoresinol; (+)-form
487-36-5
C20H22O6
358.38508
TMDB00381 4,7'-Epoxy-3',4',5,9,9'-pentahydroxy-3,8'-bilignan; (7'S,8'R)-form, 3',4'-Di-Me ether
149340-29-4
C20H24O6
360.40096
TMDB00382 4,7'-Epoxy-3,8'-bilign-7-ene-3',4',5,9,9'-pentol; (7'R,8'S)-form, 9-Aldehyde, 3',5-di-Me ether
80286-36-8
C20H20O6
356.3692
TMDB00383 4,8-Dihydroxy-2H-furo[2,3-h]-1-benzopyran-2-one; 8-Me ether
196503-96-5
C12H8O5
232.18892
TMDB00384 Theanaphthoquinone
302776-47-2
C28H22O11
534.46768
TMDB00385 2-Methylanthraquinone
84-54-8
C15H10O2
222.2387
TMDB00386 12-Oleanene-3,16,21,22,28-pentol; (3β,16α,21β,22α)-form, 21-Tigloyl, 28-Ac, 3-O-[β-D-xylopyranosyl-(1->2)-α-L-arabinopyranosyl-(1->3)-[β-D-galactopyranosyl-(1->2)]-β-D-glucuronopyranoside]
1075184-14-3
C59H92O26
1217.34618
TMDB00387 12-Oleanene-3,15,16,21,22,28-hexol; (3β,15α,16α,21β,22α)-form, 21,22-Ditigloyl, 3-O-[α-L-rhamnopyranosyl-(1->2)-α-L-arabinopyranosyl-(1->3)-[β-D-galactopyranosyl-(1->2)]-β-D-glucuronopyranoside]
1075184-13-2
C63H98O27
1287.43602
TMDB00388 12-Oleanene-3,15,16,21,22,28-hexol; (3β,15α,16α,21β,22α)-form, 21-Tigloyl, 22-Ac, 3-O-[β-D-xylopyranosyl-(1->2)-α-L-arabinopyranosyl-(1->3)-[β-D-galactopyranosyl-(1->2)]-β-D-glucuronopyranoside]
1075184-18-7
C59H92O27
1233.34558
TMDB00389 12-Oleanene-3,15,16,21,22,28-hexol; (3β,15α,16α,21β,22α)-form, 21,22-Ditigloyl, 3-O-[β-D-xylopyranosyl-(1->2)-α-L-arabinopyranosyl-(1->3)-[β-D-galactopyranosyl-(1->2)]-β-D-glucuronopyranoside]
1075184-17-6
C62H96O27
1273.40944
TMDB00039 3-Epimer Theadibenzotropolone A
Not Available
C50H38O21
974.82412
TMDB00398 12-Oleanene-3,16,21,22,23,28-hexol; (3β,16α,21β,22α)-form, 23-Aldehyde, 21-angeloyl, 16,28-di-Ac, 3-O-[β-D-xylopyranosyl-(1->2)-α-L-arabinopyranosyl-(1->3)-[β-D-galactopyranosyl-(1->2)]-β-D-glucuronopyranoside]
876315-04-7
C61H92O28
1273.36638
TMDB00004 3-O-(3,4,5-Trihydroxybenzoyl) 3,3',4',5,7-Pentahydroxyflavan
1257-08-5
C22H18O10
442.37232
TMDB00040 3"-Epimer Theadibenzotropolone A
Not Available
C50H38O21
974.82412
TMDB00403 12-Oleanene-3,16,21,22,28-pentol; (3β,16α,21β,22α)-form, 21-E-Cinnamoyl, 16,22-di-Ac, 3-O-[β-D-galactopyranosyl-(1->2)-[β-D-xylopyranosyl-(1->2)-α-L-arabinopyranosyl-(1->3)]-β-D-glucuronopyranoside]
160539-68-4
C65H94O27
1307.42566
TMDB00411 12-Oleanene-3,15,16,21,22,28-hexol; (3β,15α,16α,21β,22α)-form, 21-Angeloyl, 22-O-(2-methylbutanoyl), 3-O-[α-L-rhamnopyranosyl-(1->2)-α-L-arabinopyranosyl-(1->3)-[β-D-galactopyranosyl-(1->2)]-β-D-glucuronopyranoside]
942924-89-2
C63H100O27
1289.4519
TMDB00412 12-Oleanene-3,15,16,21,22,28-hexol; (3β,15α,16α,21β,22α)-form, 21,22-Diangeloyl, 3-O-[α-L-rhamnopyranosyl-(1->2)-α-L-arabinopyranosyl-(1->3)-[β-D-galactopyranosyl-(1->2)]-β-D-glucuronopyranoside]
942924-88-1
C63H98O27
1287.43602
TMDB00413 12-Oleanene-3,16,21,22,23,28-hexol; (3β,16α,21β,22α)-form, 21-Angeloyl, 3-O-[β-D-xylopyranosyl-(1->2)-α-L-arabinopyranosyl-(1->3)- [β-D-galactopyranosyl-(1->2)]-β-D-glucuronopyranoside]
878049-10-6
C57H90O26
1191.3089
TMDB00414 12-Oleanene-3,16,21,22,23,28-hexol; (3β,16α,21β,22α)-form, 21-Angeloyl, 3-O-[β-D-glucopyranosyl-(1->2)-α-L-arabinopyranosyl-(1->3)-[β-D-galactopyranosyl-(1->2)]-β-D-glucuronopyranoside]
929877-77-0
C58H92O27
1221.33488
TMDB00415 12-Oleanene-3,16,21,22,23,28-hexol; (3β,16α,21β,22α)-form, 21-Angeloyl, 28-Ac, 3-O-[β-D-xylopyranosyl-(1->2)-α-L-arabinopyranosyl-(1->3)-[β-D-galactopyranosyl-(1->2)]-β-D-glucuronopyranoside]
878049-11-7
C59H92O27
1233.34558
TMDB00416 12-Oleanene-3,16,21,22,23,28-hexol; (3β,16α,21β,22α)-form, 21-Angeloyl, 28-Ac, 3-O-[β-D-glucopyranosyl-(1->2)-α-L-arabinopyranosyl-(1->3)-[β-D-galactopyranosyl-(1->2)]-β-D-glucuronopyranoside]
929877-78-1
C60H94O28
1263.37156
TMDB00417 12-Oleanene-3,16,21,22,23,28-hexol; (3β,16α,21β,22α)-form, 21-Angeloyl, 16,22-di-Ac, 3-O-[β-D-xylopyranosyl-(1->2)-α-L-arabinopyranosyl-(1->3)-[β-D-galactopyranosyl-(1->2)]-β-D-glucuronopyranoside]
878049-12-8
C61H94O28
1275.38226
TMDB00418 12-Oleanene-3,16,21,22,23,28-hexol; (3β,16α,21β,22α)-form, 23-Aldehyde, 21-O-(3-methylbutanoyl), 16,22-di-Ac, 3-O-[β-D-xylopyranosyl-(1->2)-α-L-arabinopyranosyl-(1->3)-[β-D-galactopyranosyl-(1->2)]-β-D-glucuronopyranoside]
906325-03-9
C61H94O28
1275.38226
TMDB00419 12-Oleanene-3,16,21,22,23,28-hexol; (3β,16α,21β,22α)-form, 23-Aldehyde, 21-angeloyl, 3-O-[β-D-xylopyranosyl-(1->2)-α-L-arabinopyranosyl-(1->3)-[β-D-galactopyranosyl-(1->2)]-β-D-glucuronopyranoside]
876315-02-5
C57H88O26
1189.29302
TMDB00420 12-Oleanene-3,16,21,22,23,28-hexol; (3β,16α,21β,22α)-form, 23-Aldehyde, 21-angeloyl, 16-Ac, 3-O-[β-D-xylopyranosyl-(1->2)-α-L-arabinopyranosyl-(1->3)-[β-D-galactopyranosyl-(1->2)]-β-D-glucuronopyranoside]
876315-03-6
C59H90O27
1231.3297
TMDB00421 12-Oleanene-3,16,21,22,23,28-hexol; (3β,16α,21β,22α)-form, 23-Aldehyde, 21-angeloyl, 28-Ac, 3-O-[α-L-arabinopyranosyl-(1->3)-[β-D-galactopyranosyl-(1->2)]-β-D-glucuronopyranoside]
906325-14-2
C54H82O23
1099.21508
TMDB00422 12-Oleanene-3,16,21,22,23,28-hexol; (3β,16α,21β,22α)-form, 23-Aldehyde, 21-angeloyl, 16,28-di-Ac, 3-O-[β-D-glucopyranosyl-(1->2)-α-L-arabinopyranosyl-(1->3)-[β-D-galactopyranosyl-(1->2)]-β-D-glucuronopyranoside]
906325-06-2
C62H94O29
1303.39236
TMDB00423 12-Oleanene-3,16,21,22,23,28-hexol; (3β,16α,21β,22α)-form, 23-Aldehyde, 21-tigloyl, 3-O-[β-D-xylopyranosyl-(1->2)-α-L-arabinopyranosyl-(1->3)-[β-D-galactopyranosyl-(1->2)]-β-D-glucuronopyranoside]
876315-05-8
C57H88O26
1189.29302
TMDB00424 12-Oleanene-3,16,21,22,23,28-hexol; (3β,16α,21β,22α)-form, 23-Aldehyde, 21-tigloyl, 16-Ac, 3-O-[β-D-xylopyranosyl-(1->2)-α-L-arabinopyranosyl-(1->3)-[β-D-galactopyranosyl-(1->2)]-β-D-glucuronopyranoside]
929877-80-5
C59H90O27
1231.3297
TMDB00425 12-Oleanene-3,16,21,22,23,28-hexol; (3β,16α,21β,22α)-form, 23-Aldehyde, 21-tigloyl, 22-Ac, 3-O-[β-D-xylopyranosyl-(1->2)-α-L-arabinopyranosyl-(1->3)-[β-D-galactopyranosyl-(1->2)]-β-D-glucuronopyranoside]
876315-06-9
C59H90O27
1231.3297
TMDB00426 12-Oleanene-3,16,21,22,23,28-hexol; (3β,16α,21β,22α)-form, 23-Aldehyde, 21-tigloyl, 22-Ac, 3-O-[β-D-glucopyranosyl-(1->2)-α-L-arabinopyranosyl-(1->3)-[β-D-galactopyranosyl-(1->2)]-β-D-glucuronopyranoside]
906325-11-9
C60H92O28
1261.35568
TMDB00427 12-Oleanene-3,16,21,22,23,28-hexol; (3β,16α,21β,22α)-form, 23-Aldehyde, 21-tigloyl, 16,28-di-Ac, 3-O-[β-D-xylopyranosyl-(1->2)-α-L-arabinopyranosyl-(1->3)-[β-D-galactopyranosyl-(1->2)]-β-D-glucuronopyranoside]
929877-74-7
C61H92O28
1273.36638
TMDB00428 12-Oleanene-3,16,21,22,23,28-hexol; (3β,16α,21β,22α)-form, 23-Carboxylic acid, 21-angeloyl, 3-O-[β-D-xylopyranosyl-(1->2)-α-L-arabinopyranosyl-(1->3)-[β-D-galactopyranosyl-(1->2)]-β-D-glucuronopyranoside], Me ester
878049-13-9
C58H90O27
1219.319
TMDB00429 12-Oleanene-3,16,21,22,23,28-hexol; (3β,16α,21β,22α)-form, 23-Carboxylic acid, 21-angeloyl, 22-Ac, 3-O-[β-D-xylopyranosyl-(1->2)-α-L-arabinopyranosyl-(1->3)-[β-D-galactopyranosyl-(1->2)]-β-D-glucuronopyranoside], Me ester
878049-14-0
C60H92O28
1261.35568
TMDB00430 12-Oleanene-3,16,21,22,23,28-hexol; (3β,16α,21β,22α)-form, 23-Carboxylic acid, 21-angeloyl, 28-Ac, 3-O-[β-D-xylopyranosyl-(1->2)-α-L-arabinopyranosyl-(1->3)-[β-D-galactopyranosyl-(1->2)]-β-D-glucuronopyranoside], Me ester
878049-15-1
C60H92O28
1261.35568
TMDB00431 12-Oleanene-3,16,21,22,28-pentol; (3β,16α,21β,22α)-form, 21-Angeloyl, 22-Ac, 3-O-[α-L-rhamnopyranosyl-(1->2)-α-L-arabinopyranosyl-(1->3)-[β-D-galactopyranosyl-(1->2)]-β-D-glucuronopyranoside]
942924-87-0
C60H94O26
1231.37276
TMDB00432 12-Oleanene-3,16,21,22,28-pentol; (3β,16α,21β,22α)-form, 21-Angeloyl, 28-Ac, 3-O-[α-L-rhamnopyranosyl-(1->2)-α-L-arabinopyranosyl-(1->3)-[β-D-galactopyranosyl-(1->2)]-β-D-glucuronopyranoside]
942924-92-7
C60H94O26
1231.37276
TMDB00433 12-Oleanene-3,16,21,22,28-pentol; (3β,16α,21β,22α)-form, 21-Angeloyl, 16,22-di-Ac, 3-O-[α-L-rhamnopyranosyl-(1->2)-α-L-arabinopyranosyl-(1->3)-[β-D-galactopyranosyl-(1->2)]-β-D-glucuronopyranoside]
942924-91-6
C62H96O27
1273.40944
TMDB00434 12-Oleanene-3,16,21,22,28-pentol; (3β,16α,21β,22α)-form, 21-Tigloyl, 22-Ac, 3-O-[α-L-rhamnopyranosyl-(1->2)-α-L-arabinopyranosyl-(1->3)-[β-D-galactopyranosyl-(1->2)]-β-D-glucuronopyranoside]
942924-90-5
C60H94O26
1231.37276
TMDB00435 12-Oleanene-3,16,21,22,28-pentol; (3β,16α,21β,22α)-form, 21-Tigloyl, 16,22-di-Ac, 3-O-[β-D-xylopyranosyl-(1->2)-α-L-arabinopyranosyl-(1->3)-[β-D-galactopyranosyl-(1->2)]-β-D-glucuronopyranoside]
943759-34-0
C61H94O27
1259.38286
TMDB00436 12-Oleanene-3,16,21,22,28-pentol; (3β,16α,21β,22α)-form, 21-E-Cinnamoyl, 22-Ac, 3-O-[β-D-xylopyranosyl-(1->2)-α-L-arabinopyranosyl-(1->3)-[β-D-galactopyranosyl-(1->2)]-β-D-glucuronopyranoside]
195193-69-2
C63H92O26
1265.38898
TMDB00437 12-Oleanene-3,16,21,22,28-pentol; (3β,16α,21β,22α)-form, 21-E-Cinnamoyl, 28-Ac, 3-O-[β-D-xylopyranosyl-(1->2)-α-L-arabinopyranosyl-(1->3)-[β-D-galactopyranosyl-(1->2)]-β-D-glucuronopyranoside]
906451-37-4
C63H92O26
1265.38898
TMDB00438 12-Oleanene-3,16,21,22,28-pentol; (3β,16α,21β,22α)-form, 22-E-Cinnamoyl, 21-Ac, 3-O-[β-D-xylopyranosyl-(1->2)-α-L-arabinopyranosyl-(1->3)-[β-D-galactopyranosyl-(1->2)]-β-D-glucuronopyranoside]
906451-38-5
C63H92O26
1265.38898
TMDB00439 12-Oleanene-3,16,21,22,28-pentol; (3β,16α,21β,22α)-form, 22-E-Cinnamoyl, 21-angeloyl, 3-O-[β-D-xylopyranosyl-(1->2)-α-L-arabinopyranosyl-(1->3)-[β-D-galactopyranosyl-(1->2)]-β-D-glucuronopyranoside]
906451-39-6
C66H96O26
1305.45284
TMDB00044 Theaflavate B; 3'-O-(3,4,5-Trihydroxybenzoyl)
152542-70-6
C43H32O19
852.70278
TMDB00440 12-Oleanene-3,16,21,22,28-pentol; (3β,16α,21β,22α)-form, 21-Z-Cinnamoyl, 16,22-di-Ac, 3-O-[β-D-xylopyranosyl-(1->2)-α-L-arabinopyranosyl-(1->3)-[β-D-galactopyranosyl-(1->2)]-β-D-glucuronopyranoside]
195193-72-7
C65H94O27
1307.42566
TMDB00441 12-Oleanene-3,16,22,23,28-pentol; (3β,16α,22α)-form, 22-Angeloyl, 3-O-[β-D-xylopyranosyl-(1->2)-α-L-arabinopyranosyl-(1->3)-[β-D-galactopyranosyl-(1->2)]-β-D-glucuronopyranoside]
929877-79-2
C57H90O25
1175.3095
TMDB00442 12-Oleanene-3,16,22,23,28-pentol; (3β,16α,22α)-form, 22-Angeloyl, 3-O-[β-D-glucopyranosyl-(1->2)-α-L-arabinopyranosyl-(1->3)-[β-D-galactopyranosyl-(1->2)]-β-D-glucuronopyranoside]
156250-58-7
C58H92O26
1205.33548
TMDB00443 12-Oleanene-3,16,22,23,28-pentol; (3β,16α,22α)-form, 22-Tigloyl, 3-O-[β-D-glucopyranosyl-(1->2)-α-L-arabinopyranosyl-(1->3)-[β-D-galactopyranosyl-(1->2)]-β-D-glucuronopyranoside]
156317-51-0
C58H92O26
1205.33548
TMDB00444 12-Oleanene-3,16,22,23,28-pentol; (3β,16α,22α)-form, 23-Aldehyde, 16-angeloyl, 3-O-[β-D-xylopyranosyl-(1->2)-α-L-arabinopyranosyl-(1->3)-[β-D-galactopyranosyl-(1->2)]-β-D-glucuronopyranoside]
906325-18-6
C57H88O25
1173.29362
TMDB00446 12-Oleanene-3,16,22,23,28-pentol; (3β,16α,22α)-form, 23-Aldehyde, 28-angeloyl, 3-O-[β-D-xylopyranosyl-(1->2)-α-L-arabinopyranosyl-(1->3)-[β-D-galactopyranosyl-(1->2)]-β-D-glucuronopyranoside]
929877-81-6
C57H88O25
1173.29362
TMDB00448 12-Oleanene-3,16,22,23,28-pentol; (3β,16α,22α)-form, 23-Carboxylic acid, 22-angeloyl, Me ester, 3-O-[β-D-xylopyranosyl-(1->2)-α-L-arabinopyranosyl-(1->3)-[β-D-galactopyranosyl-(1->2)]-β-D-glucuronopyranoside]
929877-82-7
C58H90O26
1203.3196
TMDB00045 Theaflavate B
220473-65-4
C36H28O15
700.59852
TMDB00452 Stigmast-7-en-3-ol; (3β,5α,24R)-form, 3-O-β-D-Glucopyranoside
61376-86-1
C35H60O6
576.8473
TMDB00453 Desacyl-camelliasaponin B
Not Available
C53H84O25
1121.21906
TMDB00454 12-Oleanene-3,16,21,22,23,28-hexol; (3β,16α,21β,22α)-form, 23-Aldehyde, 21-angeloyl, 22-Ac, 3-O-[β-D-xylopyranosyl-(1->2)-α-L-arabinopyranosyl-(1->3)-[β-D-galactopyranosyl-(1->2)]-β-D-glucuronopyranoside]
220114-28-3
C59H90O27
1231.3297
TMDB00455 12-Oleanene-3,16,21,22,23,28-hexol; (3β,16α,21β,22α)-form, 23-Aldehyde, 21-angeloyl, 28-Ac, 3-O-[β-D-xylopyranosyl-(1->2)-α-L-arabinopyranosyl-(1->3)-[β-D-galactopyranosyl-(1->2)]-β-D-glucuronopyranoside]
220114-30-7
C59H90O27
1231.3297
TMDB00456 Desacyl-theasaponin E
Not Available
C52H82O25
1107.19248
TMDB00457 Desacyl- assamsaponin E
Not Available
C52H84O24
1093.20896
TMDB00458 12-Oleanene-3,16,21,22,28-pentol; (3β,16α,21β,22α)-form, 21-Angeloyl, 22-Ac, 3-O-[β-D-xylopyranosyl-(1->2)-α-L-arabinopyranosyl-(1->3)-[β-D-galactopyranosyl-(1->2)]-β-D-glucuronopyranoside]
865855-20-5
C59H92O26
1217.34618
TMDB00459 12-Oleanene-3,15,16,21,22,28-hexol; (3β,15α,16α,21β,22α)-form, 21,22-Diangeloyl, 3-O-[β-D-xylopyranosyl-(1->2)-α-L-arabinopyranosyl-(1->3)-[β-D-galactopyranosyl-(1->2)]-β-D-glucuronopyranoside]
865855-21-6
C62H96O27
1273.40944
TMDB00046 Theaflavic acid
30407-93-3
C21H16O10
428.34574
TMDB00460 12-Oleanene-3,15,16,21,22,28-hexol; (3β,15α,16α,21β,22α)-form, 21-Angeloyl, 22-O-(2-methylbutanoyl), 3-O-[β-D-xylopyranosyl-(1->2)-α-L-arabinopyranosyl-(1->3)-[β-D-galactopyranosyl-(1->2)]-β-D-glucuronopyranoside]
865855-22-7
C62H98O27
1275.42532
TMDB00461 12-Oleanene-3,15,16,21,22,28-hexol; (3β,15α,16α,21β,22α)-form, 22-Tigloyl, 21-angeloyl, 3-O-[β-D-xylopyranosyl-(1->2)-α-L-arabinopyranosyl-(1->3)-[β-D-galactopyranosyl-(1->2)]-β-D-glucuronopyranoside]
1151781-35-9
C62H96O27
1273.40944
TMDB00462 12-Oleanene-3,16,21,22,28-pentol; (3β,16α,21β,22α)-form, 21-Angeloyl, 16,22-di-Ac, 3-O-[β-D-xylopyranosyl-(1->2)-α-L-arabinopyranosyl-(1->3)-[β-D-galactopyranosyl-(1->2)]-β-D-glucuronopyranoside]
195193-71-6
C61H94O27
1259.38286
TMDB00463 12-Oleanene-3,16,21,22,28-pentol; (3β,16α,21β,22α)-form, 21-Tigloyl, 22-Ac, 3-O-[β-D-xylopyranosyl-(1->2)-α-L-arabinopyranosyl-(1->3)-[β-D-galactopyranosyl-(1->2)]-β-D-glucuronopyranoside]
1075184-16-5
C59H92O26
1217.34618
TMDB00464 Teaseedsaponin A
Not Available
C62H96O28
1289.40884
TMDB00465 Teaseedsaponin B
Not Available
C62H96O28
1289.40884
TMDB00466 Teaseedsaponin C
Not Available
C58H92O25
1189.33608
TMDB00467 Teaseedsaponin D
Not Available
C63H98O28
1303.43542
TMDB00468 Teaseedsaponin E
Not Available
C62H96O27
1273.40944
TMDB00469 Teaseedsaponin F
Not Available
C62H98O27
1275.42532
TMDB00047 3-Epimer theaflavic acid
30407-94-4
C21H16O10
428.34574
TMDB00470 Teaseedsaponin G
Not Available
C58H90O25
1187.3202
TMDB00471 Teaseedsaponin H
Not Available
C61H94O28
1275.38226
TMDB00472 Teaseedsaponin I
Not Available
C63H96O28
1301.41954
TMDB00473 Teaseedsaponin J
Not Available
C62H94O27
1271.39356
TMDB00474 Teaseedsaponin K
Not Available
C62H94O27
1271.39356
TMDB00475 Teaseedsaponin L
Not Available
C62H94O28
1287.39296
TMDB00476 12-Oleanene-3,15,16,21,22,23,28-heptol; (3β,15α,16α,21β,22α)-form, 22-O-(2-Methylbutanoyl), 15,16,21-tri-Ac, 3-O-[α-L-arabinopyranosyl-(1->3)-β-D-glucuronopyranoside]
1391986-41-6
C52H80O21
1041.179
TMDB00477 12-Oleanene-3,15,16,21,22,23,28-heptol; (3β,15α,16α,21β,22α)-form, 22-Angeloyl, 15,16,21-tri-Ac, 3-O-[α-L-arabinopyranosyl-(1->3)-β-D-glucuronopyranoside]
1391986-42-7
C52H78O21
1039.16312
TMDB00478 12-Oleanene-3,16,21,22,23,28-hexol; (3β,16α,21β,22α)-form, 22-Angeloyl, 16,21-di-Ac, 3-O-[α-L-arabinopyranosyl-(1->3)-β-D-glucuronopyranoside]
1391986-43-8
C50H76O19
981.12704
TMDB00479 12-Oleanene-3,15,16,21,22,23,28-heptol; (3β,15α,16α,21β,22α)-form, 21-Angeloyl, 22-O-(2-methylbutanoyl), 16-Ac, 3-O-[α-L-arabinopyranosyl-(1->3)-β-D-glucuronopyranoside]
1391986-44-9
C53H82O20
1039.20618
TMDB00048 Theaflavic acid; 3-Epimer, 3-O-(3,4,5-trihydroxybenzoyl)
34218-97-8
C28H20O14
580.45
TMDB00480 12-Oleanene-3,15,16,21,22,23,28-heptol; (3β,15α,16α,21β,22α)-form, 23-Aldehyde, 21-angeloyl, 22-O-(2-methylbutanoyl), 3-O-[α-L-arabinopyranosyl-(1->3)-β-D-glucuronopyranoside]
1391986-45-0
C51H78O19
995.15362
TMDB00481 12-Oleanene-3,15,16,21,22,23,28-heptol; (3β,15α,16α,21β,22α)-form, 23-Aldehyde, 21-angeloyl, 22-O-(2-methylbutanoyl), 16-Ac, 3-O-[α-L-arabinopyranosyl-(1->3)-β-D-glucuronopyranoside]
1391986-46-1
C53H80O20
1037.1903
TMDB00482 12-Oleanene-3,15,16,21,22,23,28-heptol; (3β,15α,16α,21β,22α)-form, 23-Carboxylic acid, 21-angeloyl, 22-O-(2-methylbutanoyl), 16-Ac, 23-Me ester, 3-O-[α-L-arabinopyranosyl-(1->3)-β-D-glucuronopyranoside]
1391986-47-2
C54H82O21
1067.21628
TMDB00483 12-Oleanene-3,15,16,21,22,28-hexol; (3β,15α,16α,21β,22α)-form, 21-Angeloyl, 22-O-(2-methylbutanoyl), 3-O-[α-L-arabinopyranosyl-(1->3)-β-D-glucuronopyranoside]
1391986-48-3
C51H80O18
981.1701
TMDB00484 12-Oleanene-3,16,21,22,23,28-hexol; (3β,16α,21β,22α)-form, 21-Angeloyl, 22-O-(2-methylbutanoyl), 16-Ac, 3-O-[α-L-arabinopyranosyl-(1->3)-β-D-glucuronopyranoside]
1391986-49-4
C53H82O19
1023.20678
TMDB00485 12-Oleanene-3,16,21,22,23,28-hexol; (3β,16α,21β,22α)-form, 21-Angeloyl, 22-O-(2-methylbutanoyl), 16-Ac, 3-O-[α-L-arabinopyranosyl-(1->3)-6-O-methyl-β-D-glucuronopyranoside]
1391986-50-7
C54H84O19
1037.23336
TMDB00488 12-Oleanene-3,16,21,22,23,28-hexol; (3β,16α,21β,22α)-form, 23-Aldehyde
15399-41-4
C30H48O6
504.69852
TMDB00489 12-Oleanene-3,16,21,22,24,28-hexol; (3β,16α,21β,22α)-form, 24-Aldehyde
25122-87-6
C30H48O6
504.69852
TMDB00049 Theaflavin
4670-05-7
C29H24O12
564.49366
TMDB00490 Tirucalla-7,22,24-trien-3-ol; 3β-form, 22,23-Dihydro
33755-52-1
C30H50O
426.7174
TMDB00491 12-Oleanene-3,16,21,22,28-pentol; (3β,16α,21β,22α)-form
13844-01-4
C30H50O5
490.715
TMDB00005 3,3',4',5,5',7-Hexahydroxyflavan (2R,3R)-form
970-74-1
C15H14O7
306.26746
TMDB00050 Theaflavin 3'-O-gallate
30462-34-1
C36H28O16
716.59792
TMDB00503 12-Oleanene-3,15,16,21,22,28-hexol; (3β,15α,16α,21β,22α)-form
15399-43-6
C30H50O6
506.7144
TMDB00504 20(29)-Lupen-3-ol; 3β-form
545-47-1
C30H50O
426.7174
TMDB00505 3-Hydroxy-12-oleanen-28-oic acid; 3β-form
508-02-1
C30H48O3
456.70032
TMDB00506 23-hydroxyursolic acid
5776-87-6
C30H48O4
472.69972
TMDB00507 3β,6α,13β-trihydroxy olean-7-one
Not Available
C30H50O4
474.7156
TMDB00508 3β-Acetoxy-6α,13β-dihydroxyolean-7-one
Not Available
C32H52O5
516.75228
TMDB00509 3β-O-(8-Hydroxyoctanoyl)-12-oleanene
Not Available
C38H64O3
568.91296
TMDB00051 Theaflavin 3-O-gallate
28543-07-9
C36H28O16
716.59792
TMDB00510 Friedelin
559-74-0
C30H50O
426.7174
TMDB00511 12-Oleanen-3-ol; 3β-form, 3-Ketone
638-97-1
C30H48O
424.70152
TMDB00512 3,11,12,21-Tetrahydroxy-22-oxo-12-ursen-24-oic acid; (3β,11α,21β)-form
1313612-55-3
C30H46O7
518.68204
TMDB00513 3,12-Dihydroxy-11,22-dioxo-12-ursen-24-oic acid; 3β-form
1313612-56-4
C30H44O6
500.66676
TMDB00514 3,11,13-Trihydroxy-12,22-dioxo-23-oleananoic acid; (3β,11α)-form
1313612-57-5
C30H46O7
518.68204
TMDB00052 Theaflavin 3,3'-di-O-gallate
30462-35-2
C43H32O20
868.70218
TMDB00522 1(10),4-Cadinadiene; (6β,7β)-form
483-76-1
C15H24
204.35106
TMDB00523 7212-44-4
7212-44-4
C15H26O
222.36634
TMDB00524 3-Eudesmen-11-ol; (5α,7α,10β)-form
123123-38-6
C15H26O
222.36634
TMDB00525 4(15)-Eudesmen-11-ol
473-15-4
C15H26O
222.36634
TMDB00526 3,7-Dimethyl-2,6-octadien-1-ol; (E)-form, Formyl
105-86-2
C11H18O2
182.25942
TMDB00527 3,7-Dimethyl-1,5,7-octatrien-3-ol; (S,E)-form
24278-80-6
C10H16O
152.23344
TMDB00528 Linalyl oxide
60047-17-8, 34995-77-2
C10H18O2
170.24872
TMDB00529 p-Mentha-1,8-dien-6-ol
99-48-9
C10H16O
152.23344
TMDB00053 Theaflavin; 3-Epimer
31701-93-6
C29H24O12
564.49366
TMDB00530 p-Menth-1-en-8-ol
98-55-5
C10H18O
154.24932
TMDB00531 3,7-Dimethyl-1,6-octadien-3-ol
78-70-6
C10H18O
154.24932
TMDB00532 3,7-Dimethyl-2,6-octadien-1-ol; (E)-form
106-24-1
C10H18O
154.24932
TMDB00533 3,7-Dimethyl-1,6-octadien-3-ol
78-70-6
C10H18O
154.24932
TMDB00534 3,7-Dimethyl-2,6-octadien-1-ol; (Z)-form
106-25-2
C10H18O
154.24932
TMDB00535 3,7-Dimethyl-6-octen-1-ol
106-22-9
C10H20O
156.2652
TMDB00536 3,7-Dimethyl-2,6-octadien-1-ol; (E)-form, Ac
105-87-3
C12H20O2
196.286
TMDB00537 3,7-Dimethyl-6-octen-1-ol; (?-form, Ac
67650-82-2
C12H22O2
198.30188
TMDB00538 3,7-Dimethyl-1,6-octadien-3-ol; (?-form, Ac
115-95-7
C12H20O2
196.286
TMDB00539 3,7-Dimethyl-2,6-octadien-1-ol; (Z)-form, Ac
141-12-8
C12H20O2
196.286
TMDB00054 Neotheaflavin 3-O-gallate
220473-68-7
C36H28O16
716.59792
TMDB00541 3,7-Dimethyl-2,6-octadien-1-ol; (E)-form, O-[β-D-Xylopyranosyl-(1->6)-β-D-glucopyranoside]
150995-11-2
C21H36O10
448.50454
TMDB00546 3,7-Dimethyl-2,6-octadienal; (Z)-form
106-26-3
C10H16O
152.233344
TMDB00547 3,7-Dimethyl-2,6-octadienal; (E)-form
141-27-5
C10H16O
152.23344
TMDB00548 3,7-Dimethyl-6-octenal
106-23-0
C10H18O
154.24932
TMDB00549 4,7-Megastigmadien-9-one
127-41-3
C13H20O
192.2973
TMDB00055 Isotheaflavin 3'-O-gallate
28543-07-9
C36H28O16
716.59792
TMDB00550 Theaspirone; (6S,9R)-form
50763-74-1
C14H22O
206.32388
TMDB00552 6,9-Dihydroxy-4,7-megastigmadien-3-one; (6S,7E,9R)-form, 7,8-Dihydro, 9-O-β-D-glucopyranoside
114226-08-3
C19H32O8
388.45258
TMDB00553 5-Megastigmene-3,9-diol
CRC Number: MTV18-O
C13H24O2
212.32846
TMDB00554 5,6-Epoxy-7-megastigmene-3,9-diol; (5α,6α,7E,9ξ)-form, 3-Ketone
155418-97-6
C13H20O3
224.2961
TMDB00555 9-Hydroxy-4-megastigmen-3-one; (6R,9R)-form
36151-02-7
C13H22O2
210.31258
TMDB00556 6,9-Dihydroxy-4,7-megastigmadien-3-one; (6S,7E,9R)-form, 7,8-Dihydro
36151-01-6
C13H22O3
226.31198
TMDB00557 3R,9R-Oxido-5-megastigmene
Not Available
C13H22O
194.31318
TMDB00558 (3R,9R)-3-Hydroxy-7,8-dihydro-β-ionyl 6-O-β-D-apiofuranosyl-β-D-glucopyranoside
Not Available
C24H42O11
506.58368
TMDB00559 4,8-Megastigmadien-7-one; (S,E)-form
116497-11-1
C13H20O
192.2973
TMDB00056 Neotheaflavate A
Not Available
C36H28O15
700.59852
TMDB00560 3,5,8-Megastigmatrien-7-one; 3,4-Dihydro
23726-91-2
C13H20O
192.2973
TMDB00562 6-Methyl-6-(5-methyl-2-furanyl)-3-hepten-2-one
77822-40-3
C13H18O2
206.28082
TMDB00563 Theaspirane; 4,5-Dihydro, 5-hydroxy
53398-90-6
C13H24O2
212.32846
TMDB00564 Theaspirone; (6S,9S)-form
24399-19-7
C14H22O
206.32388
TMDB00565 4-(2,6,6-Trimethyl-1-cyclohexenyl)-2-butanol
3293-47-8
C13H24O
196.32906
TMDB00566 5,7-Megastigmadien-9-one
79-77-6
C13H20O
192.2973
TMDB00567 ψ-Ionone
141-10-6
C13H20O
192.2973
TMDB00568 3-Hydroxy-5,7-megastigmadien-9-one; (3R,7E)-form
50281-38-4
C13H20O2
208.2967
TMDB00569 Stigmasta-7,22-dien-3-one; (5α,22E,24S)-form
23455-44-9
C29H46O
410.67494
TMDB00057 Theaflavin-3-O-(3-O-methyl) gallate-3-gallate
951755-29-4
C44H34O20
882.72876
TMDB00570 Stigmast-7-en-3-one; (5α,24R)-form
77790-54-6
C29H48O
412.69082
TMDB00571 3,22,23-Trihydroxyergostan-6-one; (3α,5α,22R,23R,24S)-form
87734-68-7
C28H48O4
448.67832
TMDB00572 3,22,23-Trihydroxyergostan-6-one; (3β,5α,22R,23R,24S)-form
92751-21-8
C28H48O4
448.67832
TMDB00576 Stigmast-5-en-3-ol; (3β,24R)-form
83-46-5
C29H50O
414.7067
TMDB00577 Stigmast-5-en-3-ol; (3β,24R)-form, O-β-D-Glucopyranoside
474-58-8
C35H60O6
576.8473
TMDB00578 Ergostane-2,3,22,23-tetrol; (2α,3α,5α,22R,23R,24S)-form
87833-54-3
C28H50O4
450.6942
TMDB00579 Brassinolide
72962-43-7
C28H48O6
480.67712
TMDB00058 Theaflavin-3-O-(4-O-methyl)gallate
Not Available
C37H30O16
730.6245
TMDB00580 3,22,23-Trihydroxyergostan-6-one; (3β,5α,22R,23R,24S)-form, 3-Ketone
124853-28-7
C28H46O4
446.66244
TMDB00581 Homodolicholide
86630-40-2
C29H48O6
492.68782
TMDB00582 Stigmasta-7,22-dien-3-ol; (3β,5α,22E,24S)-form
481-18-5
C29H48O
412.69082
TMDB00583 Stigmasta-7,22-dien-3-ol; (3β,5α,22E,24S)-form, 3-O-β-D-Glucopyranoside
1745-36-4
C35H58O6
574.83142
TMDB00584 Benzene
71-43-2
C6H6
78.11184
TMDB00585 Toluene
108-88-3
C7H8
92.13842
TMDB00586 1,3-Dimethylbenzene
108-38-3
C8H10
106.165
TMDB00588 1-Butanol
71-36-3
C4H10O
74.1216
TMDB00589 2-Butanol
78-92-2
C4H10O
74.1216
TMDB00059 Theaflavin-3-O-(3-O-methyl)gallate
951755-38-7
C37H30O16
730.6245
TMDB00590 1-Pentanol
71-41-0
C5H12O
88.14818
TMDB00591 1-Penten-3-ol
616-25-1
C5H10O
86.1323
TMDB00592 2-Penten-1-ol (Z)-form
1576-95-0
C5H10O
86.1323
TMDB00593 2-Hexen-1-ol (E)-form
928-95-0
C6H12O
100.15888
TMDB00594 3-Hexen-1-ol (Z)-form
928-96-1
C6H12O
100.15888
TMDB00596 Benzyl alcohol
100-51-6
C7H8O
108.13782
TMDB00597 2-Phenylethanol
60-12-8
C8H10O
122.1644
TMDB00598 3-Phenyl-1-propanol
122-97-4
C9H12O
136.19098
TMDB00599 Decanal
112-31-2
C10H20O
156.2652
TMDB00006 3,3',4',5,5',7-Hexahydroxyflavan (2R,3S)-form
970-73-0
C15H14O7
306.26746
TMDB00060 Theaflavin-3-O-(4-O-methyl)gallate-3-O-gallate
Not Available
C44H34O20
882.72876
TMDB00600 (Z)-3-Hexenal
6789-80-6
C6H10O
98.143
TMDB00601 4-Ethoxybenzaldehyde
10031-82-0
C9H10O2
150.1745
TMDB00602 (S)-2-Methylbutanal
1730-97-8
C5H10O
86.1323
TMDB00603 Acrolein
107-02-8
C3H4O
56.06326
TMDB00604 3-(3,4-Dihydroxyphenyl)-2-propenal; (E)-form, 3'-Me ether
20649-42-7
C10H10O3
178.1846
TMDB00605 Not Available
75-07-0
C2H4O
44.05256
TMDB00606 Pentanal
110-62-3
C5H10O
86.1323
TMDB00607 Butanal
123-72-8
C4H8O
72.10572
TMDB00608 Iso-Valeraldehyde
590-86-3
C5H10O
86.1323
TMDB00609 2-methylpropanal
78-84-2
C4H8O
72.10572
TMDB00061 Neotheaflavate B
Not Available
C36H28O15
700.59852
TMDB00610 2-Hexenal; (E)-form
6728-26-3
C6H10O
98.143
TMDB00611 Benzaldehyde
100-52-7
C7H6O
106.12194
TMDB00612 Cinnamaldehyde
104-55-2
C9H8O
132.15922
TMDB00613 Butanone
78-93-3
C4H8O
72.10572
TMDB00614 3-Hydroxy-3-methyl-2,4-nonanedione
544409-58-7
C10H18O3
186.24812
TMDB00615 2-Hydroxy-2,6,6-trimethylcyclohexanone
7500-42-7
C9H16O2
156.22214
TMDB00616 (Z)-3-Methyl-2-(2-pentenyl)-2-cyclopenten-1-one
488-10-8
C11H16O
164.24414
TMDB00617 5-Octen-2-one
36359-70-3
C8H14O
126.19616
TMDB00618 2,3-Pentanedione
600-14-6
C5H8O2
100.11582
TMDB00619 Methyl propenyl ketone
625-33-2
C5H8O
84.11642
TMDB00062 Benzotropolone gallate ester
Not Available
C27H20O12
536.4405
TMDB00620 (?-2,2,6-Trimethylcyclohexanone
62861-88-5
C9H16O
140.22274
TMDB00621 2,6,6-Trimethyl-2-cyclohexene-1,4-dione
1125-21-9
C9H12O2
152.19038
TMDB00622 Acetophenone
98-86-2
C8H8O
120.14852
TMDB00623 3-Methyl-2,4-nonanedione
113486-29-6
C10H18O2
170.24872
TMDB00624 1-(3,4-Dihydroxyphenyl)-3-hydroxy-1-propanone; 3'-Me ether
2196-18-1
C10H12O4
196.19988
TMDB00625 2-Butyl-4,5-dimethyl-3(2H)-furanone; (ξ)-form
917572-37-3
C10H16O2
168.23284
TMDB00626 2-Decenoic acid; (E)-form
334-49-6
C10H18O2
170.24872
TMDB00627 9-Hexadecenoic acid; (Z)-form
373-49-9
C16H30O2
254.4082
TMDB00628 Palmitic acid
57-10-3
C16H32O2
256.42408
TMDB00629 Oleic acid
112-80-1
C18H34O2
282.46136
TMDB00063 3,4,6-trihydroxy-8-((2R)-3,5,7-trihydroxychroman-2-yl)-5H-benzo[7]annulen-5-one
Not Available
C20H16O8
384.33624
TMDB00630 'Linoleic acid.
60-33-3
C18H32O2
280.44548
TMDB00631 Glycerol 1-hexadecanoate
542-44-9
C19H38O4
330.50262
TMDB00632 α-Linolenic acid
463-40-1
C18H30O2
278.4296
TMDB00633 Oxalic acid
144-62-7
C2H2O4
90.03488
TMDB00634 Malic acid
6915-15-7
C4H6O5
134.08744
TMDB00635 Citric acid
77-92-9
C6H8O7
192.12352
TMDB00636 Isocitric acid
320-77-4
C6H8O7
192.12352
TMDB00637 Succinic acid
110-15-6
C4H6O4
118.08804
TMDB00638 Shikimic acid
138-59-0
C7H10O5
174.1513
TMDB00639 Quinic acid
77-95-2
C7H12O6
192.16658
TMDB00064 Bistheaflavin A
353288-91-2
C58H48O25
1144.98672
TMDB00640 (2R,3S)-2-(4-hydroxyphenyl)chroman-3,7-diol
33467-74-2
C9H16O2
156.22214
TMDB00641 2-Hexenoic acid (E)-form
13419-69-7
C6H10O2
114.1424
TMDB00642 3-Hexenoic acid (Z)-form
4219-24-3
C6H10O2
114.1424
TMDB00643 5-Methylhexanoic acid
628-46-6
C7H14O2
130.18486
TMDB00644 Octanoic acid
124-07-2
C8H16O2
144.21144
TMDB00645 Acetic acid
64-19-7
C2H4O2
60.05196
TMDB00646 Propanoic acid
79-09-4
C3H6O2
74.07854
TMDB00647 Isopentanoic Acid
503-74-2
C5H10O2
102.1317
TMDB00648 Butyric acid
107-92-6
C4H8O2
88.10512
TMDB00649 Isobutyric acid
79-31-2
C4H8O2
88.10512
TMDB00065 Bistheaflavin B
384330-53-4
C57H46O23
1098.96134
TMDB00650 Salicylic acid
69-72-7
C7H6O3
138.12074
TMDB00651 Gallic acid
149-91-7
C7H6O5
170.11954
TMDB00652 Cinnamic acid (E)-form
140-10-3
C9H8O2
148.15862
TMDB00653 Ethyl formate
109-94-4
C3H6O2
74.07854
TMDB00654 Methyl hexanoate
106-70-7
C7H14O2
130.18486
TMDB00655 cis-3-Hexenyl acetate
3681-71-8
C8H14O2
142.19556
TMDB00657 cis-3-Hexenyl 3-methylbutanoate
35154-45-1
C11H20O2
184.2753
TMDB00658 cis-3-Hexenyl hexanoate
31501-11-8
C12H22O2
198.30188
TMDB00659 cis-3-Hexenyl benzoate
25152-85-6
C13H16O2
204.26494
TMDB00066 Epidehydrotheaflavin
Not Available
C29H22O13
578.47718
TMDB00660 Isoamyl salicylate
87-20-7
C12H16O3
208.25364
TMDB00661 2-Hydroxy-3-octanone
866421-48-9
C10H18O3
186.24812
TMDB00662 2-Hydroxy-3-octanone; (ξ)-form, Ac
134782-31-3
C10H18O3
186.24812
TMDB00663 Methyl 2-aminobenzoate
134-20-3
C8H9NO2
151.16256
TMDB00664 Methyl salicylate
119-36-8
C8H8O3
152.14732
TMDB00665 Phenylmethyl Benzeneacetate
102-16-9
C15H14O2
226.27046
TMDB00666 2-Phenylethanol; O-(6-O-Malonyl-β-D-glucopyranoside)
187340-53-0
C17H22O9
370.35118
TMDB00667 2-Phenylethanol; O-[β-D-Xylopyranosyl-(1->6)-β-D-glucopyranoside]
129932-48-5
C19H28O10
416.41962
TMDB00668 3-Hexen-1-ol; (Z)-form, O-[β-D-Xylopyranosyl-(1->6)-β-D-glucopyranoside]
132278-37-6
C17H30O10
394.4141
TMDB00669 2-Pentanol; (S)-form, O-[β-D-Xylopyranosyl-(1->6)-β-D-glucopyranoside]
178273-40-0
C16H30O10
382.4034
TMDB00067 Dehydrotheaflavin
Not Available
C29H22O13
578.47718
TMDB00670 2-Pentanol; (R)-form, O-[β-D-Xylopyranosyl-(1->6)-β-D-glucopyranoside]
Not Available
C16H30O10
382.4034
TMDB00671 Benzyl alcohol; O-[β-D-Xylopyranosyl-(1->6)-D-glucopyranoside]
130622-31-0
C18H26O10
402.39304
TMDB00672 1-Phenylethanol; (S)-form, O-[β-D-Xylopyranosyl-(1->6)-β-D-glucopyranoside]
878664-83-6
C19H28O10
416.41962
TMDB00673 Benzyl glucopyranoside; β-D-form
4304-12-5
C13H18O6
270.27842
TMDB00674 Benzyl alcohol; O-[β-D-Apiofuranosyl-(1->6)-β-D-glucopyranoside]
115009-57-9
C18H26O10
402.39304
TMDB00675 2-Hydroxyacetophenone; O-β-D-Glucopyranoside
1075184-15-4
C14H18O7
298.28852
TMDB00676 1-(R)-phenylethyl beta-D-glucopyranoside
93199-03-2
C14H20O6
284.305
TMDB00677 2-O-beta-D-glucopyranoside 1-(R)-phenyl ethylene glycol
Not Available
C14H20O7
300.3044
TMDB00678 1-O-p-Coumaroylglucose; β-D-form
7139-64-2, 117405-51-3, 13080-39-2
C15H18O8
326.29862
TMDB00679 1-O-p-Coumaroylglucose; β-D-form, 3'-Methoxy
7196-71-6
C16H20O9
356.3246
TMDB00068 Theabenzoquinone
Not Available
C29H24O12
564.49366
TMDB00680 3-(4-Hydroxyphenyl)-2-propen-1-ol; (E)-form, 1-O-β-D-Glucopyranoside
19764-35-3
C15H20O7
312.3151
TMDB00682 Benzyl glucopyranoside; β-D-form, 6-O-Malonyl
187340-52-9
C16H20O9
356.3246
TMDB00683 Bis(methylthio)methane
1618-26-4
C3H8S2
108.22562
TMDB00684 Thiophene
110-02-1
C4H4S
84.13956
TMDB00685 2,5-Dimethylthiazole
4175-66-0
C5H7NS
113.18078
TMDB00686 Benzothiazole
95-16-9
C7H5NS
135.1863
TMDB00688 Tetrahydro-6-(2-pentenyl)-2H-pyran-2-one
34686-71-0
C10H16O2
168.23284
TMDB00689 5,6,7,7a-Tetrahydro-4,4,7a-trimethyl-2(4H)-benzofuranone
15356-74-8
C11H16O2
180.24354
TMDB00069 Proepitheaflagallin
894417-15-3
C30H24O15
624.50256
TMDB00690 4-Hydroxyoctanoic acid; (R)-form, Lactone
107797-24-0
C8H14O2
142.19556
TMDB00691 Dihydro-5-pentyl-2(3H)-furanone
104-61-0, 57084-16-9
C9H16O2
156.22214
TMDB00692 Tetrahydro-6-pentyl-2H-pyran-2-one
705-86-2
C10H18O2
170.24872
TMDB00693 3,4-Dimethyl-5-pentylidene-2(5H)-furanone; (Z)-form
774-64-1
C11H16O2
180.24354
TMDB00694 5,7-Dihydroxy-2-methyl-4H-1-benzopyran-4-one; 7-O-β-D-Glucopyranoside
58108-99-9
C16H18O9
354.30872
TMDB00695 1-Hexanol; Formyl
629-33-4
C7H14O2
130.18486
TMDB00696 3-Hexen-1-ol; (Z)-form, Formyl
33467-73-1
C7H12O2
128.16898
TMDB00697 12-Oxo-10-dodecenoic acid; (E)-form
65410-38-0
C12H20O3
212.2854
TMDB00698 2-Ethylfuran
3208-16-0
C6H8O
96.12712
TMDB00699 Anisole
100-66-3
C7H8O
108.13782
TMDB00070 Hydroxytheaflavin
Not Available
C29H24O13
580.49306
TMDB00700 4-(1-Propenyl)phenol; (Z)-form
85960-81-2
C9H10O
134.1751
TMDB00701 1,1-Dimethoxyethane
534-15-6
C4H10O2
90.121
TMDB00702 2-Furancarboxaldehyde
98-01-1
C5H4O2
96.08406
TMDB00703 2-Acetylfuran
1192-62-7
C6H6O2
110.11064
TMDB00704 Ethylbenzene
100-41-4
C8H10
106.165
TMDB00705 Propylbenzene
103-65-1
C9H12
120.19158
TMDB00706 Iso-propylbenzene
98-82-2
C9H12
120.19158
TMDB00707 P-Cymene
99-87-6
C10H14
134.21816
TMDB00708 1,3,5-Trimethylbenzene, mesitylene
108-67-8
C9H12
120.19158
TMDB00709 Butylbenzene
104-51-8
C10H14
134.21816
TMDB00710 1-Isopropyl-2-methylbenzene
527-84-4
C10H14
134.21816
TMDB00711 Benzyl chloride
100-44-7
C7H7Cl
126.58348
TMDB00712 Naphthalene
91-20-3
C10H8
128.17052
TMDB00713 1-Methylnaphthalene
90-12-0
C11H10
142.1971
TMDB00714 2-Methylnaphthalene
91-57-6
C11H10
142.1971
TMDB00715 1,4,5-Trime thylnaphthalene
2131-41-1
C13H14
170.25026
TMDB00716 1,6-Dimethylnaphthalene
575-43-9
C12H12
156.22368
TMDB00717 (+)-limonene
5989-27-5
C10H16
136.23404
TMDB00718 cis-Ocimene
3338-55-4
C10H16
136.23404
TMDB00719 7-Methyl-3-methylene-1,6-octadiene
123-35-3
C10H16
136.23404
TMDB00720 α-Terpinene
99-86-5
C10H16
136.23404
TMDB00721 β-Terpinene
99-84-3
C10H16
136.23404
TMDB00722 γ-Terpinene
99-85-4
C10H16
136.23404
TMDB00723 α-Pinene
80-56-8
C10H16
136.23404
TMDB00724 β-Pinene
127-91-3
C10H16
136.23404
TMDB00725 p-Mentha-1,5-diene
99-83-2
C10H16
136.23404
TMDB00726 β-Phellandrene
555-10-2
C10H16
136.23404
TMDB00727 β-Sequiphellandrene
20307-83-9
C15H24
204.35106
TMDB00728 α-Cubebene
17699-14-8
C15H24
204.35106
TMDB00729 4(15)-Cubebene; (1R,5α,6β,7β,10α)-form
13744-15-5
C15H24
204.35106
TMDB00730 β-Caryophyllene
87-44-5
C15H24
204.35106
TMDB00731 (+)-alpha-Muurolene
17627-24-6
C15H24
204.35106
TMDB00732 4,10(14)-Cadinadiene; (1β,6β,7β)-form
30021-74-0
C15H24
204.35106
TMDB00733 α-Cadinene
24406-05-1
C15H24
204.35106
TMDB00734 4,10(14)-Cadinadiene; (1α,6β,7β)-form
39029-41-9
C15H24
204.35106
TMDB00735 1,3,5-Cadinatriene; (7R,10R)-form
22339-23-7
C15H22
202.33518
TMDB00736 2,6,9-Humulatriene
6753-98-6
C15H24
204.35106
TMDB00737 1,3,6,10-Farnesatetraene; (3E,6E)-form
502-61-4
C15H24
204.35106
TMDB00738 1,3,5,10-Bisabolatetraene; (R)-form
4176-17-4
C15H22
202.33518
TMDB00739 1,3,11-Elematriene
33880-83-0
C15H24
204.35106
TMDB00074 Dehydrotheasinensin A
Not Available
C44H34O23
930.72696
TMDB00740 4-Aromadendrene; (1β,6α,7α,10α)-form
489-40-7
C15H24
204.35106
TMDB00741 Longifolene
475-20-7
C15H24
204.35106
TMDB00742 Longicyclene
1137-12-8
C15H24
204.35106
TMDB00743 Anthracene
120-12-7
C14H10
178.2292
TMDB00744 p-Mentha-2,4(8)-diene
586-63-0
C10H16
136.23404
TMDB00745 3-Cedrene; (2α,6α)-form
469-61-4
C15H24
204.35106
TMDB00746 β-Guaiene
88-84-6
C15H24
204.35106
TMDB00747 1,3(20)-Phytadiene
504-96-1
C20H38
278.51572
TMDB00748 3-Methyl-1,4-Hexadiene
Not Available
C7H12
96.17018
TMDB00749 3-Ethyl-1,4-Hexadiene
2080-89-9
C8H14
110.19676
TMDB00075 Dehydrotheasinensin AQ
Not Available
C44H32O22
912.71168
TMDB00750 3,4-Dimethyl-2,4,6-Octatrien
57396-75-5
C10H16
136.23404
TMDB00751 1-Tetradecene
1120-36-1
C14H28
196.37212
TMDB00752 1-Pentadecene
13360-61-7
C15H30
210.3987
TMDB00753 1-Hexadecene
629-73-2
C16H32
224.42528
TMDB00754 4,5,5-Trimethyl-2-Hexene
26456-76-8
C9H18
126.23922
TMDB00755 1,2-Diethylcyclobutane
61141-83-1
C8H16
112.21264
TMDB00756 Cyclopentane
287-92-3
C5H10
70.1329
TMDB00757 Hexane
110-54-3
C6H14
86.17536
TMDB00758 3-Ethylhexane
619-99-8
C8H18
114.22852
TMDB00759 2,5,9-Trimethyldecane
62108-22-9
C13H28
184.36142
TMDB00760 Dodecane
112-40-3
C12H26
170.33484
TMDB00761 Tridecane
629-50-5
C13H28
184.36142
TMDB00762 Tetradecane
629-59-4
C14H30
198.388
TMDB00763 Pentadecane
629-62-9
C15H32
212.41458
TMDB00764 Hexadecane
544-76-3
C16H34
226.44116
TMDB00765 Heptadecane
629-78-7
C17H36
240.46774
TMDB00766 Octadecane
593-45-3
C18H38
254.49432
TMDB00767 Nonadecane
629-92-5
C19H40
268.5209
TMDB00768 Eicosane
112-95-8
C20H42
282.54748
TMDB00769 Trieicosane
638-67-5
C23H48
324.62772
TMDB00770 Tetraeicosane
646-31-1
C24H50
338.6538
TMDB00771 1,1,3-Trimethylindene
2177-45-9
C12H14
158.23956
TMDB00772 Methanol
67-56-1
CH4O
32.04186
TMDB00773 Ethanol
64-17-5
C2H6O
46.06844
TMDB00774 2-Butoxy ethanol
111-76-2
C6H14O2
118.17416
TMDB00775 Propanol
71-23-8
C3H8O
60.09502
TMDB00776 Isopropanol
67-63-0
C3H8O
60.09502
TMDB00777 (?-2-Butanol
15892-23-6
C4H10O
74.1216
TMDB00778 2-Methylbutanol
137-32-6
C5H12O
88.14818
TMDB00779 3-Methyl-1-butanol, Isopentanol
123-51-3
C5H12O
88.14818
TMDB00078 3"-Deoxy, 3,3'-bis-O-(3,4,5-trihydroxybenzoyl)3,3',4',5,5',7-Hexahydroxyflavan-(4→8)-3,3',4',5,5',7-hexahydroxyflavan
126715-82-0
C37H30O17
746.6239
TMDB00780 2-Methyl-buten-3-ol
10473-14-0
C5H10O
86.1323
TMDB00781 3-Penten-1-ol
39161-19-8
C5H10O
86.1323
TMDB00782 2-Methyl-3- Pentanol
565-67-3
C6H14O
102.17476
TMDB00783 Hexanol
25917-35-5
C6H14O
102.17476
TMDB00784 2-Methylhexanol
111768-04-8
C7H16O
116.20134
TMDB00785 2-Ethylhexanol
104-76-7
C8H18O
130.22792
TMDB00786 1-Hexen-3-ol
4798-44-1
C6H12O
100.15888
TMDB00787 Heptanol
111-70-6
C7H16O
116.20134
TMDB00788 1-Octen-3-ol
74072-82-5
C8H16O
128.21204
TMDB00789 Octanol
111-87-5
C8H18O
130.22792
TMDB00790 1,5-Octadien-3-ol
83861-74-9
C8H14O
126.19616
TMDB00791 Nonanol
143-08-8
C9H20O
144.2545
TMDB00792 5-Nonanol
623-93-8
C9H20O
144.2545
TMDB00793 Trans-2-Nonenol,(E)-2-Nonen-1-ol, 2-Nonen-1-ol, (E)-, Non-2-en-1-ol, (E)-Non-2-en-1-ol, 31502-14-4, 2-Nonen-1-ol, (2E)-, 2E-Nonen-1-ol
31502-14-4
C9H18O
142.23862
TMDB00794 Linalool oxide A, Linalool oxide I
128441-10-1
C10H18O2
170.24872
TMDB00795 Linalool oxide IV, Linalool oxide D,Linalool oxide (trans-pyranoid)
39028-58-5
C10H18O2
170.24872
TMDB00796 Linalool oxide C, Linalool oxide III (pyranoid)
14009-71-3
C10H18O2
170.24872
TMDB00797 Menthol
2216-51-5
C10H20O
156.2652
TMDB00798 β-Terpineol
138-87-4
C10H18O
154.24932
TMDB00799 γ-Terpineol
586-81-2
C10H18O
154.24932
TMDB00800 2-Bornanol
10385-78-1
C10H18O
154.24932
TMDB00801 α-Cadinol
481-34-5
C15H26O
222.36634
TMDB00802 T-Cadinol
5937-11-1
C15H26O
222.36634
TMDB00803 Cubebol
23445-02-5
C15H26O
222.36634
TMDB00804 Epi-Cubebol
182267-63-6
C15H26O
222.36634
TMDB00805 alpha-Cedrol
77-53-2
C13H22O
194.31318
TMDB00806 Farnesol
4602-84-0
C15H26O
222.36634
TMDB00807 2-Furanmethanol
98-00-0
C5H6O2
98.09994
TMDB00808 Safrole
94-59-7
C10H10O2
162.1852
TMDB00809 Phytol
150-86-7
C20H40O
296.531
TMDB00810 1-Phenylethanol
98-85-1
C8H10O
122.1644
TMDB00811 2,4-Dimethylbenzyl alcohol
16308-92-2
C9H12O
136.19098
TMDB00812 5,7-Megastigmadien-9-one; 9-Alcohol
22029-76-1
C13H22O
194.31318
TMDB00813 Propanal
123-38-6
C3H6O
58.07914
TMDB00814 Cis-3-Pentenal
Not Available
C5H8O
84.11642
TMDB00815 2-Methyl-2-pentenal
623-36-9
C6H10O
98.143
TMDB00816 4-Methyl-2-Pentenal
5362-56-1
C6H10O
98.143
TMDB00817 2-Methylpentanal
123-15-9
C6H12O
100.15888
TMDB00818 3-Methylpentanal
15877-57-3
C6H12O
100.15888
TMDB00819 4-Methylpentanal
1119-16-0
C6H12O
100.15888
TMDB00820 Hexanal
66-25-1
C6H12O
100.15888
TMDB00821 2,4-Hexadienal
142-83-6
C6H8O
96.12712
TMDB00822 2,5-Dimethylhexanal
Not Available
C8H16O
128.21204
TMDB00823 2,4-Heptadienal; (E,E)-form
4313-03-5
C7H10O
110.1537
TMDB00824 2-Heptenal; (E)-form
18829-55-5
C7H12O
112.16958
TMDB00825 Heptanal
111-71-7
C7H14O
114.18546
TMDB00826 (E,E)-2,4-Octadienal
30361-28-5
C8H12O
124.18028
TMDB00827 (E)-2-Octenal
2548-87-0
C8H14O
126.19616
TMDB00828 n-Octanal
124-13-0
C8H16O
128.21204
TMDB00829 2,4-Nonadienal; (2E,4E)-form
5910-87-2
C9H14O
138.20686
TMDB00830 2,4-Nonadienal
21661-99-4
C9H14O
138.20686
TMDB00831 2,6-Nonadienal; (2E,6Z)-form
557-48-2
C9H14O
138.20686
TMDB00832 2-Nonenal; (E)-form
18829-56-6
C9H16O
140.22274
TMDB00833 Nonanal
124-19-6
C9H18O
142.23862
TMDB00834 2,4,6-Decatrienal
25462-05-9
C10H14O
150.21756
TMDB00835 2,4-Decadienal; (E,E)-form
25152-84-5
C10H16O
152.23344
TMDB00836 2-Decenal; (E)-form
3913-81-3
C10H18O
154.24932
TMDB00837 2-Undecenal; (E)-form
53448-07-0
C11H20O
168.2759
TMDB00838 Safranal
116-26-7
C10H14O
150.21756
TMDB00839 2-Methylbenzaldehyde
529-20-4
C8H8O
120.14852
TMDB00840 2,4-Dimethylbenzaldehyde
15764-16-6
C9H10O
134.1751
TMDB00841 4-Methoxybenzaldehyde
123-11-5
C8H8O2
136.14792
TMDB00842 Vanilline.
121-33-5
C8H8O3
152.14732
TMDB00843 4-Ethylbenzaldehyde
4748-78-1
C9H10O
134.1751
TMDB00844 Phenylacetaldehyde
122-78-1
C8H8O
120.14852
TMDB00845 2-Phenylpropanal
34713-70-7
C9H10O
134.1751
TMDB00846 2-Phenyl-2-butenal
55088-52-3, 4411-89-6
C10H10O
146.1858
TMDB00847 4-Methyl-2-phenyl-2-pentenal
26643-91-4
C12H14O
174.23896
TMDB00848 5-Methyl-2-phenyl-2-hexenal
21834-92-4
C13H16O
188.26554
TMDB00849 2-Hydroxybenzaldehyde
90-02-8
C7H6O2
122.12134
TMDB00850 5-Methyl-2-furancarboxaldehyde
620-02-0
C6H6O2
110.11064
TMDB00851 5-Methylfurfur-3-al
Not Available
C6H6O2
110.11064
TMDB00852 2-Acetyl-1-ethylpyrrole
39741-41-8
C8H11NO
137.17904
TMDB00853 Cuminaldehyde
122-03-2
C10H12O
148.20168
TMDB00854 Acetone
67-64-1
C3H6O
58.07914
TMDB00855 Hydroxyacetone
116-09-6
C3H6O2
74.07854
TMDB00856 Diacetyl
431-03-8
C4H6O2
86.08924
TMDB00857 1-Hydroxy-2-butanone
5077-67-8
C4H8O2
88.10512
TMDB00858 3-Hydroxy-3-methyl-2-butanone
115-22-0
C5H10O2
102.1317
TMDB00859 3-Methyl-2-butanone
563-80-4
C5H10O
86.1323
TMDB00860 3-Methyl-3-buten-2-one
814-78-8
C5H8O
84.11642
TMDB00861 2-Cyclopenten-1-one
930-30-3
C5H6O
82.10054
TMDB00862 2-Pentanone
107-87-9
C5H10O
86.1323
TMDB00863 1-Penten-3-one
1629-58-9
C5H8O
84.11642
TMDB00864 4-Methyl-4-penten-2-one
3744-02-3
C6H10O
98.143
TMDB00865 4-Methyl-3-penten-2-one
141-79-7
C6H10O
98.143
TMDB00866 3-Methylcyclopentadien-1-one
Not Available
C6H6O
94.11124
TMDB00867 2-Methyl-2-cyclopenten-1-one
1120-73-6
C6H8O
96.12712
TMDB00868 3-Methyl-2-cyclopenten-1-one
2758-18-1
C6H8O
96.12712
TMDB00869 3-Ethyl-2-cyclopentenone
5682-69-9
C7H10O
110.1537
TMDB00087 3,3',4',5,7-Pentahydroxyflavan(4->8)-3,3',4',5,7-pentahydroxyflavan; (2R,2'R,3R,3'R,4R)-form, 3'-O-(3,4,5-Trihydroxybenzoyl)
73086-04-1
C37H30O16
730.6245
TMDB00870 5,5-Dimethyl-2-cyclopentenone
Not Available
C7H10O
110.1537
TMDB00871 2,5-Dimethyl-2-cyclopentenone
4041-11-6
C7H10O
110.1537
TMDB00872 2,3-Dimethyl-2-cyclopentenone
1121-05-7
C7H10O
110.1537
TMDB00873 3,4,5-Trimethyl-2-cyclopentenone
55683-21-1
C8H12O
124.18028
TMDB00874 2,3,4-Trimethyl-2-cyclopentenone
28790-86-5
C8H12O
124.18028
TMDB00875 Hexanone
30637-87-7
C6H12O
100.15888
TMDB00876 Cyclohexanone
108-94-1
C6H10O
98.143
TMDB00877 3-Hexen-2-one
763-93-9
C6H10O
98.143
TMDB00878 2-Cyclohexen-1-one
930-68-7
C6H8O
96.12712
TMDB00879 4-Hydroxy-4-Methylcyclohexanone
17429-02-6
C7H12O2
128.16898
TMDB00088 3,3',4',5,7-Pentahydroxyflavan(4->8)-3,3',4',5,7-pentahydroxyflavan; (2R,2'R,3R,3'R,4R)-form, 3,3'-Bis-O-(3,4,5-trihydroxybenzoyl)
79907-44-1
C44H34O20
882.72876
TMDB00880 5-Methyl-2-Hexanone
110-12-3
C7H14O
114.18546
TMDB00881 5-Methyl-3-hexen-2-one
5166-53-0
C7H12O
112.16958
TMDB00882 2,3-Dimethylcyclohexanone
13395-76-1
C8H14O
126.19616
TMDB00883 2,6,6-Trimethyl-2-cyclohexen-1-one
20013-73-4
C9H14O
138.20686
TMDB00884 2,2,6-Trimethyl-1,4-cyclohexanedione
20547-99-3
C9H14O2
154.20626
TMDB00885 2-Heptanone
110-43-0
C7H14O
114.18546
TMDB00886 3,5-Heptadien-2-one
3916-64-1
C7H10O
110.1537
TMDB00887 6-Methyl-3,5-heptadien-2-one
1604-28-0
C8H12O
124.18028
TMDB00888 6-Methyl-5-hepten-2-one
110-93-0
C8H14O
126.19616
TMDB00889 6-Methyl-5-hepten-3-one
86883-66-1
C8H14O
126.19616
TMDB00089 3,3',4',5,7-Pentahydroxyflavan-(4->6)-3,3',4',5,7-pentahydroxyflavan; (2R,2'R,3R,3'R,4R)-form, 3,3'-Bis-O-(3,4,5-trihydroxybenzoyl)
106533-60-2
C44H34O20
882.72876
TMDB00890 5-Isopryheptan-2-one
Not Available
C10H18O
154.24932
TMDB00891 5-(1-Methylethyl)-trans-3-hepten-2-one
51729-97-6
C10H18O
154.24932
TMDB00892 2-Octanone
111-13-7
C8H16O
128.21204
TMDB00893 3-Octanone
106-68-3
C8H16O
128.21204
TMDB00894 4-Octen-3-one
14129-48-7
C8H14O
126.19616
TMDB00895 3-Octen-2-one; (E)-form
18402-82-9
C8H14O
126.19616
TMDB00896 2,3-Octanedione
585-25-1
C8H14O2
142.19556
TMDB00897 Trans,trans-3,5-Octadien-2-one
30086-02-3
C8H12O
124.18028
TMDB00898 2-Methyl-3-octanone
923-28-4
C9H18O
142.23862
TMDB00899 6-Methyl-trans,trans-3,5-Octadien-2-one
Not Available
C9H14O
138.20686
TMDB00009 Fuzhuanin A
Not Available
C15H12O8
320.25098
TMDB00900 2-Nonanone
821-55-6
C9H18O
142.23862
TMDB00901 2-Decanone
693-54-9
C10H20O
156.2652
TMDB00902 6,10-Dimethyl-2-undecanone
1604-34-8
C13H26O
198.34494
TMDB00903 6,10-Dimethyl-5,9-Undecadien-2-one
38237-36-4
C13H22O
194.31318
TMDB00904 6,10,14-Trimethyl-2-pentadecanone; (ξ)-form
502-69-2
C18H36O
268.47784
TMDB00905 1,5,5,9-Tetramethyl-bicyclo[4,3,0]-non-8-en-7-one
Not Available
C13H20O
192.2973
TMDB00906 2',4'-Dihydroxyacetophenone; Di-Me ether
829-20-9
C10H12O
148.20168
TMDB00907 Ethylacetophenone
2142-64-5
C10H12O
148.20168
TMDB00908 4'-Ethylacetophenone
937-30-4
C10H12O
148.20168
TMDB00909 3',4'-Dihydroxyacetophenone; Di-Me ether
1131-62-0
C10H12O3
180.20048
TMDB00091 Quinic acid; (-)-form, 5-O-(3,4,5-Trihydroxybenzoyl)
17365-11-6
C14H16O10
344.27084
TMDB00910 1,4-Diacetylbenzene
1009-61-6
C10H10O2
162.1852
TMDB00911 1,3-Diacetylbenzene
6781-42-6
C10H10O2
162.1852
TMDB00912 Benzylpropanone
136675-26-8
C9H10O
134.1751
TMDB00913 P-Ethylpripionylbenzene
75251-24-0
C11H14O
162.22826
TMDB00914 2,4-Dimethylbenzylpropanone
Not Available
C11H14O
162.22826
TMDB00915 Theaspirone
19377-59-4
C13H20O2
208.2967
TMDB00916 5,7-Megastigmadien-9-one; 7,8-Dihydro
17283-81-7
C13H22O
194.31318
TMDB00917 3-Keto-β-ionon
27185-77-9
C13H18O2
206.28082
TMDB00918 4,7-Megastigmadien-9-one; (R)-(E)-form, 7,8-Dihydro
31499-72-6, 39721-65-8
C13H22O
194.31318
TMDB00919 2,3-Epoxy-α-ionone
108944-32-7
C13H20O2
208.2967
TMDB00092 3,4',5,7-Tetrahydroxyflavan(4->6)-3,3',4',5,7-pentahydroxyflavan; (all-R)-form, 3,3''-Bis-O-(3,4,5-trihydroxybenzoyl)
252185-32-3
C44H34O19
866.72936
TMDB00920 3,5,8-Megastigmatrien-7-one
23726-93-4
C13H18O
190.28142
TMDB00921 p-Menth-1-en-3-one
89-81-6
C10H16O
152.23344
TMDB00922 Camphor; (+)-form
464-49-3, 76-22-2
C10H16O
152.23344
TMDB00923 2-Hexen-1-ol; (E)-form, Formyl
53398-78-0
C7H12O2
128.16898
TMDB00924 Ethyl acetate
141-78-6
C4H8O2
88.10512
TMDB00925 1-Hydroxy-Propanyl[2]acetate
6214-01-3
C5H10O3
118.1311
TMDB00926 3-Methyl-1-butanol; Ac
123-92-2
C7H14O2
130.18486
TMDB00927 1-Hexanol; Ac
142-92-7
C8H16O2
144.21144
TMDB00928 2-Hexen-1-ol; (E)-form, Ac
2497-18-9
C8H14O2
142.19556
TMDB00929 2-Hexen-1-ol; (E)-form, Propanoyl
53398-80-4
C9H16O2
156.22214
TMDB00093 3,3'-Bis (3,4,5-trihydroxybenzoyl)Epiafzelechin(4-8)epicatechin
Not Available
C44H34O19
866.72936
TMDB00930 Succinic acid; Mono-Me ester
3878-55-5
C5H8O4
132.11462
TMDB00931 1-Hexanol; Butanoyl
2639-63-6
C10H20O2
172.2646
TMDB00932 2-Hexen-1-ol; (E)-form, Butanoyl
53398-83-7
C10H18O2
170.24872
TMDB00933 3-Hexen-1-ol; (Z)-form, 2-Methylbutanoyl
53398-85-9
C11H20O2
184.2753
TMDB00934 (E)-3-Hexenyl Pentanoate
56922-81-7
C11H20O2
184.2753
TMDB00935 2-Hexenoic acid; (E)-form, Me ester
13894-63-8
C7H12O2
128.16898
TMDB00936 2-Penten-1-ol; (Z)-form, Hexanoyl
74298-89-8
C11H20O2
184.2753
TMDB00937 3-Hexen-1-ol; (Z)-form, 2E-Hexenoyl
53398-87-1
C12H20O2
196.286
TMDB00938 Cis-2-Hexenyl Hexanoate, [(Z)-hex-2-enyl] hexanoate
56922-79-3
C12H22O2
198.30188
TMDB00939 Octanoic acid; Me ester
111-11-5
C9H18O2
158.23802
TMDB00094 Theacitrin A
201998-49-4
C37H28O18
760.60742
TMDB00940 Octanoic acid; Et ester
106-32-1
C10H20O2
172.2646
TMDB00941 4-Oxononanoic acid; Me ester
33566-57-3
C10H18O3
186.24812
TMDB00942 (Z)-3-Hexenyl Nonanoate
88191-46-2
C15H28O2
240.38162
TMDB00943 Trans-3-Hexenyl Hexanoate.
56922-82-8
C12H22O2
198.30188
TMDB00944 Hexanoic acid; (E)-2-Hexenyl ester
53398-86-0
C12H22O2
198.30188
TMDB00945 1-Ethyl-2-methylbenzene
611-14-3
C9H12
120.19158
TMDB00946 3,7-Dimethyl-1,3,6-octatriene; (E)-form
3779-61-1
C10H16
136.23404
TMDB00947 3(15),6-Caryophylladiene; (-)-(Z)-form
118-65-0
C15H24
204.35106
TMDB00948 2-Methyl-1-propanol
78-83-1
C4H10O
74.1216
TMDB00949 2-Penten-1-ol; (E)-form
1576-96-1
C5H10O
86.1323
TMDB00095 Theacitrin B