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
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
TMDB01013 4-Heptanolide
105-21-5, 57129-71-2
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
TMDB01019 5-Hexyldihydro-5-methyl-2(3H)-furanone
7011-83-8
C11H20O2
184.2753
TMDB00102 Theasinensin C; 3''-Deoxy, 3,3'-bis-O-(3,4,5-trihydroxybenzoyl)
116329-55-6
C44H34O21
898.72816
TMDB01025 Hexanoic acid
142-62-1
C6H12O2
116.15828
TMDB01027 Heptanoic acid
111-14-8
C7H14O2
130.18486
TMDB00103 Theasinensin C; Atropisomer
116348-81-3
C30H26O13
594.51964
TMDB01031 Nonanoic acid
112-05-0
C9H18O2
158.23802
TMDB01039 Phenol
108-95-2
C6H6O
94.11124
TMDB00104 Theasinensin C; Atropisomer, 3,3'-bis-O-(3,4,5-trihydroxybenzoyl)
116403-62-4
C44H34O22
914.72756
TMDB00105 Theasinensin C; Atropisomer, 3''-deoxy, 3,3'-bis-O-(3,4,5-trihydroxybenzoyl)
116403-61-3
C44H34O21
898.72816
TMDB01056 2,4-Diisopropylphenol
2934-05-6
C12H18O
178.27072
TMDB01057 2,6-Diisopropyl-4-methylphenol
20766-99-8
C13H20O
192.2973
TMDB01064 2-Methoxy-4-(1-propenyl)phenol
97-54-1
C10H12O2
164.20108
TMDB01084 2-Pentylfuran
3777-69-3
C9H14O
138.20686
TMDB00122 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
TMDB00123 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
TMDB01272 Vitexin; 2''-β-D-Glucopyranosyl
61360-94-9
C27H30O15
594.5181
TMDB01273 Vitexin; 2''-α-L-Rhamnopyranosyl
64820-99-1
C27H30O14
578.5187
TMDB01284 (+)-Epigallocatechin- (2beta-O-7', 4beta-8')-epicatechin
CRC Number: HSK96-X
C30H24O13
592.50376
TMDB00129 Oolonghomobisflavan C
126716-06-1
C45H36O22
928.75414
TMDB01307 2-Ethenyl-1,1-dimethyl-3-methylidene-cyclohexane
95452-08-7
C11H18
150.26062
TMDB01310 Epicatechin-(4beta-8)-epicatechin-3-O-glucoside
96820-32-5
C36H36O17
740.66084
TMDB01312 3-O-Galloylepigallocatechin-(4beta-8)-epicatechin-3-O-gallate
126715-83-1
C44H34O21
898.72816
TMDB01354 1,3(15),6,10-Farnesatetraene; (E)-form
18794-84-8
C15H24
204.35106
TMDB00014 3-O-(3,4-Dihydroxy-5-methoxybenzoyl)3,3',4',5,5',7-Hexahydroxyflavan (2R,3R)-form
83104-87-4
C23H20O11
472.3983
TMDB00015 3-O-(3,5-Dihydroxy-4-methoxybenzoyl)3,3',4',5,5',7-Hexahydroxyflavan (2R,3R)-form
224434-07-5
C23H20O11
472.3983
TMDB00016 3,3',4',5,5',7-Hexahydroxyflavan; (2R,3R)-form, 3-O-E-Cinnamoyl
108907-46-6
C24H20O8
436.4108
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
TMDB00018 3,3',4',5,7-Pentahydroxyflavan; (2R,3R)-form, 3-O-(4-Hydroxybenzoyl)
108907-45-5
C22H18O8
410.37352
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
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
TMDB00021 3,3',4',5,7-Pentahydroxyflavan; (2R,3R)-form, 3-O-(3,5-Dihydroxy-4-methoxybenzoyl)
108907-44-4
C23H20O10
456.3989
TMDB00213 Chafuroside A
720684-57-1
C21H18O9
414.36222
TMDB00214 Chafuroside B
866737-00-0
C21H18O9
414.36222
TMDB00215 Isovitexin; 2''-Sulfate
1173925-23-9
C21H20O13S
512.4407
TMDB00216 Vitexin; 2''-Sulfate
1173925-24-0
C21H20O13S
512.4407
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
TMDB00024 3,4',5,7-Tetrahydroxyflavan; (2R,3R)-form, 3-O-(3,4,5-Trihydroxybenzoyl)
108907-43-3
C22H18O9
426.37292
TMDB00280 2-O-(β-L-Arabinopyranosyl)-myo-inositol
110107-23-8
C11H20O11
328.2699
TMDB00003 3,3',4',5,7-Pentahydroxyflavan (2R,3R)-form
490-46-0
C15H14O6
290.26806
TMDB00349 Cytosine
71-30-7
C4H5N3O
111.102
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
TMDB00004 3-O-(3,4,5-Trihydroxybenzoyl) 3,3',4',5,7-Pentahydroxyflavan
1257-08-5
C22H18O10
442.37232
TMDB00005 3,3',4',5,5',7-Hexahydroxyflavan (2R,3R)-form
970-74-1
C15H14O7
306.26746
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
TMDB00545 8-Hydroxygeranyl β-primeveroside
Not Available
C21H36O10
448.50454
TMDB00585 Toluene
108-88-3
C7H8
92.13842
TMDB00586 1,3-Dimethylbenzene
108-38-3
C8H10
106.165
TMDB00587 Methyl 2-hydroxybenzoate; O-[β-D-Xylopyranosyl-(1->6)-β-D-glucopyranoside]
490-67-5
C19H26O12
446.40254
TMDB00595 3-Hexen-1-ol; (Z)-form, O-β-D-Glucopyranoside
95632-87-4
C12H22O6
262.29948
TMDB00006 3,3',4',5,5',7-Hexahydroxyflavan (2R,3S)-form
970-73-0
C15H14O7
306.26746
TMDB00667 2-Phenylethanol; O-[β-D-Xylopyranosyl-(1->6)-β-D-glucopyranoside]
129932-48-5
C19H28O10
416.41962
TMDB00007 8-C-Ascorbylepigallocatechin 3-O-gallate
126715-87-5
C28H24O17
632.47996
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
TMDB00071 Assamicain A
121795-66-2
C44H36O22
916.74344
TMDB00712 Naphthalene
91-20-3
C10H8
128.17052
TMDB00714 2-Methylnaphthalene
91-57-6
C11H10
142.1971
TMDB00718 cis-Ocimene
3338-55-4
C10H16
136.23404
TMDB00072 Assamicain B
121844-27-7
C44H36O22
916.74344
TMDB00724 β-Pinene
127-91-3
C10H16
136.23404
TMDB00073 Assamicain C
121795-67-3
C44H36O22
916.74344
TMDB00737 1,3,6,10-Farnesatetraene; (3E,6E)-form
502-61-4
C15H24
204.35106
TMDB00748 3-Methyl-1,4-Hexadiene
Not Available
C7H12
96.17018
TMDB00749 3-Ethyl-1,4-Hexadiene
2080-89-9
C8H14
110.19676
TMDB00754 4,5,5-Trimethyl-2-Hexene
26456-76-8
C9H18
126.23922
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
TMDB00076 3,3',4',5,5',7-Hexahydroxyflavan-(4->8)-3,3',4',5,5',7-hexahydroxyflavan; (all-R)-form, 3''-Deoxy, 3'-O-(3,4,5-trihydroxybenzoyl)
126715-89-7
C37H30O17
746.6239
TMDB00765 Heptadecane
629-78-7
C17H36
240.46774
TMDB00077 3,3',4',5,5',7-Hexahydroxyflavan-(4->8)-3,3',4',5,5',7-hexahydroxyflavan; (all-R)-form, 3''-Deoxy, 3,3'-bis-O-(3,4,5-trihydroxybenzoyl)
126715-90-0
C44H34O21
898.72816
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
TMDB00788 1-Octen-3-ol
74072-82-5
C8H16O
128.21204
TMDB00789 Octanol
111-87-5
C8H18O
130.22792
TMDB00079 3,3',4',5,5',7-Hexahydroxyflavan-(4->8)-3,3',4',5,5',7-hexahydroxyflavan; (2R,2'R,3S,3'R,4S)-form
68964-95-4
C30H26O14
610.51904
TMDB00791 Nonanol
143-08-8
C9H20O
144.2545
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
TMDB00080 3,3',4',5,5',7-Hexahydroxyflavan-(4->8)-3,3',4',5,5',7-hexahydroxyflavan; (2R,2'R,3S,3'R,4S)-form, 3'-O-(3,4,5-Trihydroxybenzoyl)
126786-49-0
C37H30O18
762.6233
TMDB00803 Cubebol
23445-02-5
C15H26O
222.36634
TMDB00081 3,3',4',5,5',7-Hexahydroxyflavan-(4->8)-3,3',4',5,5',7-hexahydroxyflavan; (2R,2'R,3S,3'R,4S)-form, 3''-Deoxy
121958-00-7
C30H26O13
594.51964
TMDB00082 3,3',4',5,5',7-Hexahydroxyflavan-(4->8)-3,3',4',5,5',7-hexahydroxyflavan; (2R,2'R,3S,3'R,4S)-form, 3'''-Deoxy
79199-56-7
C30H26O13
594.51964
TMDB00823 2,4-Heptadienal; (E,E)-form
4313-03-5
C7H10O
110.1537
TMDB00825 Heptanal
111-71-7
C7H14O
114.18546
TMDB00083 6,8'-Methylenebis[3,3',4',5,5',7-hexahydroxyflavan]; (2R,2'R,3R,3'R)-form, 3,3'-Bis -O-(3,4,5-trihydroxybenzoyl)
126715-88-6, 176107-91-8
C45H36O22
928.75414
TMDB00084 8,8'-Methylenebis[3,3',4',5,5',7-hexahydroxyflavan]; (2R,2'R,3R,3'R)-form, 3,3'-Bis-O-(3,4,5-trihydroxybenzoyl)
126737-60-8
C45H36O22
928.75414
TMDB00842 Vanilline.
121-33-5
C8H8O3
152.14732
TMDB00844 Phenylacetaldehyde
122-78-1
C8H8O
120.14852
TMDB00085 Oolongtheanin
116310-05-5
C36H28O17
732.59732
TMDB00854 Acetone
67-64-1
C3H6O
58.07914
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
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
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
TMDB00898 2-Methyl-3-octanone
923-28-4
C9H18O
142.23862
TMDB00090 Prodelphinidin A2; 3'-O-(3,4,5-Trihydroxybenzoyl)
126715-94-4
C37H28O18
760.60742
TMDB00903 6,10-Dimethyl-5,9-Undecadien-2-one
38237-36-4
C13H22O
194.31318
TMDB00915 Theaspirone
19377-59-4
C13H20O2
208.2967
TMDB00923 2-Hexen-1-ol; (E)-form, Formyl
53398-78-0
C7H12O2
128.16898
TMDB00934 (E)-3-Hexenyl Pentanoate
56922-81-7
C11H20O2
184.2753
TMDB00937 3-Hexen-1-ol; (Z)-form, 2E-Hexenoyl
53398-87-1
C12H20O2
196.286
TMDB00944 Hexanoic acid; (E)-2-Hexenyl ester
53398-86-0
C12H22O2
198.30188
TMDB00946 3,7-Dimethyl-1,3,6-octatriene; (E)-form
3779-61-1
C10H16
136.23404
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
TMDB00958 2-Hexenal
505-57-7
C6H10O
98.143
TMDB00964 3-Penten-2-one
625-33-2
C5H8O
84.11642
TMDB00970 1,2-Dinor-6,10-farnesadien-3-one; (E)-form
3796-70-1
C13H22O
194.31318
TMDB00974 3-Hexenyl 2-methylbutyrate
Not Available
C11H20O2
184.2753
TMDB00977 Decanoic acid; Et ester
110-38-3
C12H24O2
200.31776
TMDB00983 Methyl 2-Methylpentadecanoate
Not Available
C17H34O2
270.45066
TMDB00984 Hexadecanoic acid; Me ester
112-39-0
C17H34O2
270.450566
TMDB00099 Theasinensin C
89013-69-4
C30H26O14
610.51904
TMDB00991 Benzyl acetate
140-11-4
C9H10O2
150.1745
TMDB00992 2-Phenylethanol; Ac
103-45-7
C10H12O2
164.20108
TMDB00995 2-Phenylethanol; Butanoyl
103-52-6
C12H16O2
192.25424
TMDB00998 Benzoic acid; Et ester
93-89-0
C9H10O2
150.1745
Copyright © 2014 Key Laboratory of Tea Biochemistry and Biotechnology & School of Information and Computing Science Anhui Agricultural University, Hefei 230036, China