Browse Detail


TMDB ID Entry Name
CAS Number
Compound Formula
Molecular Weight
2D Structure
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
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
TMDB01066 Ether
7578-39-4
C4H10O
74.1216
TMDB01089 Dimethyl sulfide
75-18-3
C2H6S
62.13404
TMDB01095 1-Ethylpyrrole
92933-61-4
C6H9N
95.14236
TMDB00111 Camelliatannin C
154524-52-4
C49H38O28
1074.80922
TMDB00112 Camelliatannin D
148159-87-9
C83H62O50
1859.35038
TMDB00113 Camelliatannin E
148132-92-7
C49H38O28
1074.80922
TMDB00114 Camelliatannin F
154561-15-6
C48H34O26
1026.76796
TMDB00115 Camelliatannin G
154524-53-5
C49H34O29
1086.77686
TMDB01154 3-Methyl-1H-indole
83-34-1
C9H9N
131.17446
TMDB00116 Camelliatannin H
148159-86-8
C68H48O44
1569.08232
TMDB01198 Chlorophyll a; 3'-Parent acid
14897-06-4
C35H34MgN4O5
614.97326
TMDB01199 Chlorophyll b; 3'-Free acid
14428-12-7
C35H32MgN4O6
628.95678
TMDB00120 Malabathrin A; Di-O-degalloyl
138256-94-7
C49H36O27
1056.79394
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
TMDB00121 3,3',4',5,7-Pentahydroxyflavan; (2R,3S)-form, 5-O-[4-Hydroxy-3-methoxycinnamoyl-(->2)-[4-hydroxycinnamoyl-(->6)]-β-D-glucopyranoside]
103215-60-7
C40H38O16
774.72012
TMDB00124 Stenophyllanin C; 3'-Epimer
138256-93-6
C49H36O27
1056.79394
TMDB01281 4,6-(Hexahydroxydiphenoyl)glucose; (S)axial-β-D-Pyranose-form, 1,2-Bis-O-(3,4,5-trihydroxybenzoyl)
159690-22-9
C34H26O22
786.55704
TMDB00131 3,3',4',5,7-Pentahydroxyflavan(4->8)-3,3',4',5,7-pentahydroxyflavan; (2R,2'R,3R,3'R,4R)-form
29106-49-8
C30H26O12
578.52024
TMDB00132 [3,3',4',5,7-Pentahydroxyflavan(4->8)]2-3,3',4',5,7-pentahydroxyflavan; (2R,2'R,2''R,3R,3'R,3''R,4R,4'R)-form
65085-09-8
C45H38O18
866.77242
TMDB00133 3,3',4',5,7-Pentahydroxyflavan(4->8)-3,3',4',5,7-pentahydroxyflavan; (2R,2'R,3S,3'S,4S)-form
23567-23-9
C30H26O12
578.52024
TMDB00134 3,3',4',5,7-Pentahydroxyflavan(4->8)-3,3',4',5,7-pentahydroxyflavan; (2R,2'R,3S,3'R,4S)-form
29106-51-2
C30H26O12
578.52024
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
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
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
TMDB00176 Quercetin 3-glycosides; Trisaccharides, 3-O-[β-D-Xylopyranosyl-(1->2)-α-L-rhamnopyranosyl-(1->6)-β-D-glucopyranoside]
288096-26-4
C32H38O20
742.63212
TMDB00177 Quercetin 3-glycosides; Trisaccharides, 3-O-[β-D-Xylopyranosyl-(1->3)-α-L-rhamnopyranosyl-(1->6)-β-D-glucopyranoside]
926664-29-1
C32H38O20
742.63212
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
TMDB00026 3,3',4',5,7-Pentahydroxyflavan; (2R,3R)-form, 3'-Me ether
76549-34-3
C16H16O6
304.29464
TMDB00027 3,3',4',5,7-Pentahydroxyflavan; (2R,3R)-form, 3',5-Di-Me ether
97914-18-6
C17H18O6
318.32122
TMDB00028 3,3',4',5,7-Pentahydroxyflavan; (2R,3R)-form, 3',5,7-Tri-Me ether
97914-19-7
C18H20O6
332.3478
TMDB00029 3,3',4',5,7-Pentahydroxyflavan; (2RS,3RS)-form, 3',4'-Methylene, 5,7-di-Me ether
87562-72-9
C18H18O6
330.33192
TMDB00034 3,3',4',5,5',7-Hexahydroxyflavan; (2R,3R)-form, E-3-O-(4-Hydroxy-E-cinnamoyl)
89013-65-0
C24H20O9
452.4102
TMDB00377 2-Methoxy-4-(2-propenyl)phenol; O-[β-D-Xylopyranosyl-(1->6)-β-D-glucopyranoside]
18604-54-1
C21H30O11
458.4563
TMDB00071 Assamicain A
121795-66-2
C44H36O22
916.74344
TMDB00718 cis-Ocimene
3338-55-4
C10H16
136.23404
TMDB00072 Assamicain B
121844-27-7
C44H36O22
916.74344
TMDB00727 β-Sequiphellandrene
20307-83-9
C15H24
204.35106
TMDB00073 Assamicain C
121795-67-3
C44H36O22
916.74344
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
TMDB00778 2-Methylbutanol
137-32-6
C5H12O
88.14818
TMDB00779 3-Methyl-1-butanol, Isopentanol
123-51-3
C5H12O
88.14818
TMDB00781 3-Penten-1-ol
39161-19-8
C5H10O
86.1323
TMDB00783 Hexanol
25917-35-5
C6H14O
102.17476
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
TMDB00806 Farnesol
4602-84-0
C15H26O
222.36634
TMDB00807 2-Furanmethanol
98-00-0
C5H6O2
98.09994
TMDB00813 Propanal
123-38-6
C3H6O
58.07914
TMDB00825 Heptanal
111-71-7
C7H14O
114.18546
TMDB00849 2-Hydroxybenzaldehyde
90-02-8
C7H6O2
122.12134
TMDB00850 5-Methyl-2-furancarboxaldehyde
620-02-0
C6H6O2
110.11064
TMDB00854 Acetone
67-64-1
C3H6O
58.07914
TMDB00858 3-Hydroxy-3-methyl-2-butanone
115-22-0
C5H10O2
102.1317
TMDB00865 4-Methyl-3-penten-2-one
141-79-7
C6H10O
98.143
TMDB00876 Cyclohexanone
108-94-1
C6H10O
98.143
TMDB00877 3-Hexen-2-one
763-93-9
C6H10O
98.143
TMDB00881 5-Methyl-3-hexen-2-one
5166-53-0
C7H12O
112.16958
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
TMDB00897 Trans,trans-3,5-Octadien-2-one
30086-02-3
C8H12O
124.18028
TMDB00899 6-Methyl-trans,trans-3,5-Octadien-2-one
Not Available
C9H14O
138.20686
TMDB00924 Ethyl acetate
141-78-6
C4H8O2
88.10512
TMDB00926 3-Methyl-1-butanol; Ac
123-92-2
C7H14O2
130.18486
TMDB00927 1-Hexanol; Ac
142-92-7
C8H16O2
144.21144
TMDB00937 3-Hexen-1-ol; (Z)-form, 2E-Hexenoyl
53398-87-1
C12H20O2
196.286
TMDB00946 3,7-Dimethyl-1,3,6-octatriene; (E)-form
3779-61-1
C10H16
136.23404
TMDB00948 2-Methyl-1-propanol
78-83-1
C4H10O
74.1216
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
TMDB00953 Linalyl oxide; (3RS,6SR)-form
128441-08-7
C10H18O2
170.24872
TMDB00955 2-Methylbutanal; (?-form
57456-98-1
C5H10O
86.1323
TMDB00958 2-Hexenal
505-57-7
C6H10O
98.143
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
TMDB00972 Trans-3-Hexenyl Acetate
1708-82-3
C8H14O2
142.19556
TMDB00978 3-Hexenoic acid; (Z)-form, (Z)-3-Hexenyl ester
61444-38-0
C12H20O2
196.286
TMDB00979 Trans-3-Hexenyl cis-3-Hexenoate
Not Available
C12H20O2
196.286
TMDB00991 Benzyl acetate
140-11-4
C9H10O2
150.1745
TMDB00993 p-Menth-1(7)-en-8-ol
8007-35-0
C12H20O2
196.286
Copyright © 2014 Key Laboratory of Tea Biochemistry and Biotechnology & School of Information and Computing Science Anhui Agricultural University, Hefei 230036, China