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
TMDB00100 Theasinensin C; 3-O-(3,4,5-Trihydroxybenzoyl)
89064-32-4
C37H30O18
762.6233
TMDB01001 1,2-Benzenedicarboxylic acid; Di-Et ester
84-66-2
C12H14O4
222.23716
TMDB01002 Dibutyl Phthealate
84–74–2
C16H22O4
278.34348
TMDB00101 3,3'-Bis(3,4,5-trihydroxybenzoyl) theasinensin C
89064-31-3
C44H34O22
914.72756
TMDB01011 Tetrahydro-6-methyl-2H-pyran-2-one; (R)-form
43112-32-9
C6H10O2
114.1424
TMDB01013 4-Heptanolide
105-21-5, 57129-71-2
C7H12O2
128.16898
TMDB01014 5-Hydroxyheptanoic acid
3301-90-4
C7H12O2
128.16898
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
TMDB01020 Dihydrobovolide
10547-84-9
C11H18O2
182.25942
TMDB01025 Hexanoic acid
142-62-1
C6H12O2
116.15828
TMDB01027 Heptanoic acid
111-14-8
C7H14O2
130.18486
TMDB01031 Nonanoic acid
112-05-0
C9H18O2
158.23802
TMDB01033 Decanoic acid
334-48-5
C10H20O2
172.2646
TMDB01035 Chlorogenic acid methyl ester.
29708-87-0
C18H30O2
278.3353
TMDB01036 Benzoic acid
65-85-0
C7H6O2
122.12134
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
TMDB01048 4-Vinylphenol
2628-17-3
C8H8O
120.14852
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
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
TMDB01064 2-Methoxy-4-(1-propenyl)phenol
97-54-1
C10H12O2
164.20108
TMDB01068 1,1-Diethoxyethane
105-57-7
C6H14O2
118.17416
TMDB01069 Butanal; Di-Et acetal
3658-95-5
C8H18O2
146.22732
TMDB01073 4-(1-Propenyl)phenol; (E)-form, Me ether
4180-23-8
C10H12O
148.20168
TMDB01075 1,4-Dimethoxybenzene
150-78-7
C8H10O2
138.1638
TMDB00108 1,4,6-Trigalloylglucose; β-D-Pyranose-form
94513-58-3
C27H24O18
636.46866
TMDB01080 Furan
110-00-9
C4H4O
68.07396
TMDB01082 2,3-Dihydro-3-methylfuran
1708-27-6
C5H8O
84.11642
TMDB01084 2-Pentylfuran
3777-69-3
C9H14O
138.20686
TMDB01085 Iso-Amylfuran
15012-77-8
C9H14O
138.20686
TMDB01087 Hydrogen sulfide (H2S)
7783-06-4
H2S
34.08088
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
TMDB01096 2-Acetylpyrrole
1072-83-9
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
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
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
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
TMDB01154 3-Methyl-1H-indole
83-34-1
C9H9N
131.17446
TMDB01158 Cyanidin 3-glycosides; Monosaccharides, 3-O-[4-Hydroxy-E-cinnamoyl-(->6)-β-D-glucopyranoside]
56767-17-0
C30H27O13
595.52703
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
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
TMDB01208 4-O-Caffeoylquinic acid
905-99-7
C16H18O9
354.30872
TMDB01228 Diphenyl ether
101-84-8
C12H10O
170.2072
TMDB01229 3-Mercapto-3-methyl-1-butanol; Me ether
94087-83-9
C6H14OS
134.23976
TMDB01233 3,3'-Dithiobis[2-methylfuran]
28588-75-2
C10H10O2S2
226.3152
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
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
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
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
TMDB01285 (+)-Gallocatechin-3-O-(4-O-methyl)gallate (GCG4''Me)
Not Available
C23H20O11
472.3983
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
TMDB01308 6,8-Di-α-L-arabinopyranosyl-4',5,7-trihydroxyflavone
107911-03-5
C25H26O13
534.46614
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
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
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
TMDB01329 Cyanidin 3,5-diglycosides; 3,5-Di-O-β-D-glucopyranoside
2611-67-8
C27H31O16
611.52489
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
TMDB00135 1,6-Digalloylglucose; β-D-Pyranose-form
23363-08-8
C20H20O14
484.3644
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
TMDB00136 1,2,6-Trigalloylglucose; β-D-Pyranose-form
79886-49-0
C27H24O18
636.46866
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
 E eDetail?id=141"> TMDB00141 1,3-Digalloylglucose; β-D-Pyranose-form
85138-58-5
C20H20O14
484.3644
TMDB00142 1,2,3,4-tetragalloylglucose; β-D-Pyranose-form
Not Available
C34H28O22
788.57292
TMDB01425 Quinic acid; (-)-form, 3-O-(3,4,5-Trihydroxybenzoyl)
53584-43-3
C14H16O10
344.27084
TMDB01426 Quinic acid; (-)-form, 4,5-Bis-O-(3,4,5-trihydroxybenzoyl)
53505-97-8
C21H20O14
496.3751
TMDB01427 5-O-p-Coumaroylquinic acid
87099-71-6
C16H18O8
338.30932
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
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
TMDB01450 Linalyl oxide; O-[β-D-Xylopyranosyl-(1->6)-β-D-glucopyranoside]
158799-49-6
C21H36O11
464.50394
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
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
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
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
TMDB00178 3,4',5,7-Tetrahydroxyflavanone; (2R,3R)-form
480-20-6
C15H12O6
288.25218
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
TMDB00208 Isoschaftoside
52012-29-0
C26H28O14
564.49212
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
TMDB00221 4',5,7-Trihydroxyflavanone; (S)-form
480-41-1
C15H12O5
272.25278
TMDB00223 Delphinidin 3-O-β-D-(6-p-coumaroylgalactoside)
339080-03-4
C30H27O14
611.52643
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
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
TMDB00285 Quercetin 4'-O-β-D-Galactopyranoside
381728-34-3
C21H20O12
464.38635
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
TMDB00314 2-Hydroxy-2-phenylacetonitrile; (R)-form, O-β-D-Glucopyranoside
99-18-3
C14H17NO6
295.28788
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
TMDB00322 5-Ethyl-2-methylpyridine
104-90-5
C8H11N
121.17964
TMDB00324 Liberine
56119-16-5
C8H10N4O3
210.19
TMDB00325 2-Methylbenzothiazole
120-75-2
C8H7NS
149.21288
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
TMDB00331 Theobromine
83-67-0
C7H8N4O2
180.16402
TMDB00332 Theophylline
58-55-9
C7H8N4O2
180.16402
TMDB00333 Temurin
2309-49-1
C9H12N4O3
224.21658
TMDB00334 Liberine; 7-Me
51168-26-4
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
TMDB00339 Adenine
73-24-5
C5H5N5
135.1267
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
TMDB00366 Eugenol
97-53-0
C10H12O2
164.20108
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
TMDB00374 1,2,4-Benzenetriol; 1,2-Di-Me ether
2033-89-8
C8H10O3
154.1632
TMDB00383 4,8-Dihydroxy-2H-furo[2,3-h]-1-benzopyran-2-one; 8-Me ether
196503-96-5
C12H8O5
232.18892
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
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
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
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
TMDB00489 12-Oleanene-3,16,21,22,24,28-hexol; (3β,16α,21β,22α)-form, 24-Aldehyde
25122-87-6
C30H48O6
504.69852
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
TMDB00503 12-Oleanene-3,15,16,21,22,28-hexol; (3β,15α,16α,21β,22α)-form
15399-43-6
C30H50O6
506.7144
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
TMDB00528 Linalyl oxide
60047-17-8, 34995-77-2
C10H18O2
170.24872
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
TMDB00540 3,7-Dimethyl-1,6-octadien-3-ol; (R)-form, 3-O-[β-D-Xylopyranosyl-(1->6)-β-D-glucopyranoside]
134553-54-1, 84543-11-3
C21H36O10
448.50454
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
TMDB00542 Linalool 3,7-oxide; (3S,6S)-form, O-[β-D-Apiofuranosyl-(1->6)-β-D-glucopyranoside]
184488-16-2. 184488-17-3
C21H36O11
464.50394
TMDB00543 Linalool 3,7-oxide -primeveroside
Not Available
C21H36O11
464.50394
TMDB00544 Linalyl oxide; O-[β-D-Xylopyranosyl-(1->6)-β-D-glucopyranoside]
158699-10-6 158799-49-6
C21H36O11
464.50394
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
TMDB00550 Theaspirone; (6S,9R)-form
50763-74-1
C14H22O
206.32388
TMDB00551 5,6-Epoxy-7-megastigmen-9-one
23267-57-4
C13H20O2
208.2967
TMDB00560 3,5,8-Megastigmatrien-7-one; 3,4-Dihydro
23726-91-2
C13H20O
192.2973
TMDB00561 5-Megastigmene-3,9-diol; (3β,9R)-form, 9-O-[β-D-Apiofuranosyl-(1->6)-β-D-glucopyranoside]
347852-04-4
C24H42O11
506.58368
TMDB00562 6-Methyl-6-(5-methyl-2-furanyl)-3-hepten-2-one
77822-40-3
C13H18O2
206.28082
TMDB00565 4-(2,6,6-Trimethyl-1-cyclohexenyl)-2-butanol
3293-47-8
C13H24O
196.32906
TMDB00570 Stigmast-7-en-3-one; (5α,24R)-form
77790-54-6
C29H48O
412.69082
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
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
TMDB00585 Toluene
108-88-3
C7H8
92.13842
TMDB00587 Methyl 2-hydroxybenzoate; O-[β-D-Xylopyranosyl-(1->6)-β-D-glucopyranoside]
490-67-5
C19H26O12
446.40254
TMDB00588 1-Butanol
71-36-3
C4H10O
74.1216
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
TMDB00600 (Z)-3-Hexenal
6789-80-6
C6H10O
98.143
TMDB00602 (S)-2-Methylbutanal
1730-97-8
C5H10O
86.1323
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
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
TMDB00616 (Z)-3-Methyl-2-(2-pentenyl)-2-cyclopenten-1-one
488-10-8
C11H16O
164.24414
TMDB00619 Methyl propenyl ketone
625-33-2
C5H8O
84.11642
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
TMDB00625 2-Butyl-4,5-dimethyl-3(2H)-furanone; (ξ)-form
917572-37-3
C10H16O2
168.23284
TMDB00627 9-Hexadecenoic acid; (Z)-form
373-49-9
C16H30O2
254.4082
TMDB00628 Palmitic acid
57-10-3
C16H32O2
256.42408
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
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
TMDB00647 Isopentanoic Acid
503-74-2
C5H10O2
102.1317
TMDB00648 Butyric acid
107-92-6
C4H8O2
88.10512
TMDB00650 Salicylic acid
69-72-7
C7H6O3
138.12074
TMDB00651 Gallic acid
149-91-7
C7H6O5
170.11954
TMDB00655 cis-3-Hexenyl acetate
3681-71-8
C8H14O2
142.19556
TMDB00658 cis-3-Hexenyl hexanoate
31501-11-8
C12H22O2
198.30188
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
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
TMDB00671 Benzyl alcohol; O-[β-D-Xylopyranosyl-(1->6)-D-glucopyranoside]
130622-31-0
C18H26O10
402.39304
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
TMDB00681 3-(3,4-Dihydroxyphenyl)-2-propen-1-ol; (E)-form, 3'-Me ether, 4'-O-β-D-glucopyranoside
531-29-3
C16H22O8
342.34108
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
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
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
TMDB00711 Benzyl chloride
100-44-7
C7H7Cl
126.58348
TMDB00712 Naphthalene
91-20-3
C10H8
128.17052
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
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
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
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
TMDB00741 Longifolene
475-20-7
C15H24
204.35106
TMDB00743 Anthracene
120-12-7
C14H10
178.2292
TMDB00746 β-Guaiene
88-84-6
C15H24
204.35106
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
TMDB00761 Tridecane
629-50-5
C13H28
184.36142
TMDB00764 Hexadecane
544-76-3
C16H34
226.44116
TMDB00765 Heptadecane
629-78-7
C17H36
240.46774
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
TMDB00772 Methanol
67-56-1
CH4O
32.04186
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
TMDB00783 Hexanol
25917-35-5
C6H14O
102.17476
TMDB00784 2-Methylhexanol
111768-04-8
C7H16O
116.20134
TMDB00786 1-Hexen-3-ol
4798-44-1
C6H12O
100.15888
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
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
TMDB00799 γ-Terpineol
586-81-2
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
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
TMDB00814 Cis-3-Pentenal
Not Available
C5H8O
84.11642
TMDB00820 Hexanal
66-25-1
C6H12O
100.15888
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
TMDB00827 (E)-2-Octenal
2548-87-0
C8H14O
126.19616
TMDB00828 n-Octanal
124-13-0
C8H16O
128.21204
TMDB00830 2,4-Nonadienal
21661-99-4
C9H14O
138.20686
TMDB00832 2-Nonenal; (E)-form
18829-56-6
C9H16O
140.22274
TMDB00833 Nonanal
124-19-6
C9H18O
142.23862
TMDB00838 Safranal
116-26-7
C10H14O
150.21756
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
TMDB00846 2-Phenyl-2-butenal
55088-52-3, 4411-89-6
C10H10O
146.1858
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
TMDB00086 3,3',4',5',7-Pentahydroxy-5-methoxyflavone
19077-84-0
C16H12O8
332.26924
TMDB00862 2-Pentanone
107-87-9
C5H10O
86.1323
TMDB00863 1-Penten-3-one
1629-58-9
C5H8O
84.11642
TMDB00865 4-Methyl-3-penten-2-one
141-79-7
C6H10O
98.143
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
TMDB00875 Hexanone
30637-87-7
C6H12O
100.15888
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
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
TMDB00888 6-Methyl-5-hepten-2-one
110-93-0
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
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
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
TMDB00091 Quinic acid; (-)-form, 5-O-(3,4,5-Trihydroxybenzoyl)
17365-11-6
C14H16O10
344.27084
TMDB00912 Benzylpropanone
136675-26-8
C9H10O
134.1751
TMDB00915 Theaspirone
19377-59-4
C13H20O2
208.2967
TMDB00918 4,7-Megastigmadien-9-one; (R)-(E)-form, 7,8-Dihydro
31499-72-6, 39721-65-8
C13H22O
194.31318
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
TMDB00924 Ethyl acetate
141-78-6
C4H8O2
88.10512
TMDB00093 3,3'-Bis (3,4,5-trihydroxybenzoyl)Epiafzelechin(4-8)epicatechin
Not Available
C44H34O19
866.72936
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
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
TMDB00943 Trans-3-Hexenyl Hexanoate.
56922-82-8
C12H22O2
198.30188
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
TMDB00950 1-Pentanol or 3-Pentanol
30899-19-5
C5H12O
88.14818
TMDB00951 3-Hexen-1-ol; (E)-form
928-97-2
C6H12O
100.15888
TMDB00952 3,7-Dimethyl-1,5,7-octatrien-3-ol
29957-43-5
C10H16O
152.23344
TMDB00953 Linalyl oxide; (3RS,6SR)-form
128441-08-7
C10H18O2
170.24872
TMDB00954 4-Cadinen-10-ol; (1β,6β,7β,10α)-form
36564-42-8
C15H26O
222.36634
TMDB00956 3-Pentenal; (E)-form
58838-14-5
C5H8O
84.11642
TMDB00958 2-Hexenal
505-57-7
C6H10O
98.143
TMDB00960 2,4-Heptadienal; (2Z,4E)-form
59121-26-5
C7H10O
110.1537
TMDB00963 3-Penten-2-one; (E)-form
3102-33-8
C5H8O
84.11642
TMDB00964 3-Penten-2-one
625-33-2
C5H8O
84.11642
TMDB00965 2,2,6-Trimethylcyclohexanone; (?-form
62861-88-5
C9H16O
140.22274
TMDB00966 6-Methyl-3,5-heptadien-2-one; (E)-(?)-form
16647-04-4
C8H12O
124.18028
TMDB00967 3,5-Octadien-2-one; (E,Z)-form
4173-41-5
C8H12O
124.18028
TMDB00969 Acetophenone
98-86-2
C8H8O
120.14852
TMDB00970 1,2-Dinor-6,10-farnesadien-3-one; (E)-form
3796-70-1
C13H22O
194.31318
TMDB00980 5-Hydroxydecanoic acid; (ξ)-form, Et ester
75587-06-3
C12H24O3
216.31716
TMDB00981 Cis-3-Hexenyl Decanoate
85554-69-4
C16H30O2
254.4082
TMDB00982 Trans-2-Hexenyl Decanoate
Not Available
C16H30O2
254.4082
TMDB00984 Hexadecanoic acid; Me ester
112-39-0
C17H34O2
270.450566
TMDB00985 Hexadecanoic acid; Et ester
628-97-7
C18H36O2
284.47724
TMDB00987 Methyl Octadecanoate
172226-14-1
C19H38O2
298.50382
TMDB00988 Octadecanoic acid; Et ester
111-61-5
C20H40O2
312.5304
TMDB00990 2-Phenylethanol; Formyl
104-62-1
C9H10O2
150.1745
TMDB00992 2-Phenylethanol; Ac
103-45-7
C10H12O2
164.20108
TMDB00993 p-Menth-1(7)-en-8-ol
8007-35-0
C12H20O2
196.286
TMDB00996 Benzoic acid; Me ester
93-58-3
C8H8O2
136.14792
TMDB00999 3-Hexen-1-ol; (Z)-form, Benzoyl
72200-74-9
C13H16O2
204.26494
Copyright © 2014 Key Laboratory of Tea Biochemistry and Biotechnology & School of Information and Computing Science Anhui Agricultural University, Hefei 230036, China