Browse Detail


TMDB ID Entry Name
CAS Number
Compound Formula
Molecular Weight
2D Structure
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
TMDB01218 1-Hexanol; Benzoyl
6789-88-4
C13H18O2
206.28082
TMDB01220 Hexanoic acid; Hexyl ester
6378-65-0
C12H24O2
200.31776
TMDB01221 Butanoic acid; Me ester
623-42-7
C5H10O2
102.1317
TMDB01225 Pentanoic acid; Me ester
624-24-8
C6H12O2
116.15828
TMDB01340 3-Methylbutanoic acid; Et ester
108-64-5
C7H14O2
130.18486
TMDB01359 Ethyl 4-(sulfooxy) benzoate
Not Available
C9H10O6S
246.2371
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
TMDB01436 Propanoic acid; Et ester
105-37-3
C5H10O2
102.1317
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
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
TMDB00656 cis-3-Hexenyl butyrate
16491-36-4
C10H18O2
170.24872
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
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
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
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
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
TMDB00972 Trans-3-Hexenyl Acetate
1708-82-3
C8H14O2
142.19556
TMDB00973 Trans-3-Hexenyl Propionate
53398-81-5
C9H16O2
156.22214
TMDB00974 3-Hexenyl 2-methylbutyrate
Not Available
C11H20O2
184.2753
TMDB00975 3-Hexenoic acid; (Z)-form, Me ester
13894-62-7
C7H12O2
128.16898
TMDB00976 (E)-2-Pentenyl Hexanoate
88296-27-9
C11H20O2
184.2753
TMDB00977 Decanoic acid; Et ester
110-38-3
C12H24O2
200.31776
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
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
TMDB00983 Methyl 2-Methylpentadecanoate
Not Available
C17H34O2
270.45066
TMDB00984 Hexadecanoic acid; Me ester
112-39-0
C17H34O2
270.450566
TMDB00985 Hexadecanoic acid; Et ester
628-97-7
C18H36O2
284.47724
TMDB00986 Heptadecanoic acid; Me ester
1731-92-6
C18H36O2
284.47724
TMDB00987 Methyl Octadecanoate
172226-14-1
C19H38O2
298.50382
TMDB00988 Octadecanoic acid; Et ester
111-61-5
C20H40O2
312.5304
TMDB00991 Benzyl acetate
140-11-4
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
TMDB00994 Butanoic acid; Benzyl ester
103-37-7
C11H14O2
178.22766
TMDB00995 2-Phenylethanol; Butanoyl
103-52-6
C12H16O2
192.25424
TMDB00996 Benzoic acid; Me ester
93-58-3
C8H8O2
136.14792
TMDB00997 4-Methoxybenzoic acid; Me ester
121-98-2
C9H10O3
166.1739
TMDB00998 Benzoic acid; Et ester
93-89-0
C9H10O2
150.1745
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