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833 Compounds Download CSV
# Compound Name PubChem ID Structure Class Subclass #Species #Ref.
1 1'''-O-beta-D-glucosylformoside 163067737
Structure
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Terpenoid Secoiridoid glucoside 2 3
2 1',26'-bis-[(S)-2,3-dihydroxypropyl] hexacosanedioate -
Structure
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Glyceride Monoglyceride 1 1
3 1'-monodecarboxyvaloneic acid dilactone 10410181
Structure
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Tannin Ellagitannin 1 1
4 1(10),15-rosadiene-2beta,3beta-diol -
Structure
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Terpenoid 1 1
5 1(12),22(23)-tetradehydrocabralealactone 162961478
Structure
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Terpenoid Dammarane triterpenoid 1 1
6 1,1,2-triacetoxyethane 76325
Structure
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Triglyceride 1 1
7 1,1-dimethoxy-dodecane 84559
Structure
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N-alkane 1 1
8 1,1-dimethylprop-2-enyl 1-O-beta-D-glucopyranoside 5316128
Structure
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Glycoside 1 1
9 1,1-dimethylpyrrolidin-1-ium-2-carboxylate 554
Structure
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Alkaloid 1 1
10 1,10,7,8-tetradehydro-asteriscanolide 163012343
Structure
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Terpenoid Sesquiterpene lactone 2 2
11 1,11-dimethoxycanthin-6-one 190613
Structure
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Alkaloid Canthinone alkaloid 2 3
12 1,13-bis-O-desacetyl-1-oxo-afraglaucolide 162817328
Structure
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Terpenoid Sesquiterpene lactone 1 1
13 1,14-dibromotetradecane 169955
Structure
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Essential oil 1 1
14 1,15beta-epoxy-2-epi-16-deoxysarcophine 11844356
Structure
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Terpenoid Cembranoid diterpene 1 1
15 1,2 benzene dicarboxylic acid, dioctyl ester 8346
Structure
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Ester 2 2
16 1,2,3,11b-tetrahydroquinolactacide 163067623
Structure
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Alkaloid 1 1
17 1,2,3,4,4a,7-hexahydro-1,6-dimethyl-4-(1-methylethyl)naphthalene 519298
Structure
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Naphthalene derivative 1 1
18 1,2,3,4,5,7-hexamethoxynaphthalene 71445220
Structure
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Naphthalene derivative 1 1
19 1,2,3,4,6-pentagalloyl glucose 162817372
Structure
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Tannin Tannin 1 1
20 1,2,3,4-tetrahydro-2-acetyl Isoquinolin-1-carboxylicacid 14738342
Structure
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Alkaloid Isoquinoline alkaloid 1 1
21 1,2,3,4-tetrahydronorharman-1-one 87371
Structure
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Alkaloid Indole alkaloid 1 1
22 1,2,3-tri-O-galloyl-beta-D-glucose 5322038
Structure
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Phenolic Polyphenol 1 1
23 1,2,3-trimethylbenzene 10686
Structure
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Terpenoid Monoterpene 1 1
24 1,2,4-trihydroxynaphthalene-2-O-beta-D-glucopyranoside -
Structure
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Phenolic Phenolic glycoside 1 1
25 1,2,4-trimethylbenzene 7247
Structure
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Terpenoid Monoterpene 1 1
26 1,2,6,8-tetrahydroxy-3 methyl anthraquinone 8-O-beta-D-glucopyranoside -
Structure
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Anthaquinone Anthraquinone glycoside 1 1
27 1,2,6-tri-O-galloyl-beta-D-glucose 3357644
Structure
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Phenolic Phenolic glycoside 1 1
28 1,2,6-tri-O-galloylglucose 440308
Structure
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Phenolic Phenolic glycoside 2 2
29 1,2-(dipalmitoyl)-3-O-beta-D-galactopyranosylglycerol -
Structure
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Glycoside 1 1
30 1,2-benzene dicarboxylic acid, diisooctyl ester 33934
Structure
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Lipid Fatty ester 3 3
31 1,2-benzene dicarboxylic acid, mono-(2-ethylhexyl ester) 20393
Structure
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Ester 1 1
32 1,2-benzenedicarboxylic acid, bis (2-ethylhexyl) ester 8343
Structure
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Phenolic Benzoic acid ester 2 2
33 1,2-benzenedicarboxylic acid, butyl octyl ester 66540
Structure
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Ester 1 1
34 1,2-cyclohexanediol diacetate 137196
Structure
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Ester 1 1
35 1,2-dehydro-1,10a-dihydropseudoivalin 101713145
Structure
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Terpenoid Sesquiterpene 2 2
36 1,2-dehydrobeninine 163072097
Structure
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Alkaloid 1 1
37 1,2-di-O-palmitoyl-3-O-(6-sulfo-alpha-D-quinovopyranosyl)-glycerol -
Structure
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Fatty acid Glycolipid 1 1
38 1,2-didehydroancistrobertsonine D 15489678
Structure
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Alkaloid Naphthylisoquinoline alkaloid 1 1
39 1,2-dihydro-11-acetoxy-falcarindiol -
Structure
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Polyacetylene 1 1
40 1,2-dihydro-3-oxo-costic acid guaianyl ester 3 beta-O- (1,2-didehydro-3-oxo-costoyloxy)-4beta,10beta-dihydroxy-guaia-1(2)-en-6beta,12-olide 162911068
Structure
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Terpenoid Sesquiterpene lactone dimer 1 1
41 1,2-dihydroandirobin -
Structure
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Terpenoid Triterpene 1 1
42 1,2-dihydrophenopyrrozin -
Structure
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Alkaloid 1 1
43 1,2-dihydroxy-3-methoxy-10-methyl-9-acridone 132277135
Structure
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Alkaloid Acridine alkaloid 1 1
44 1,2-dihydroxy-3-methoxyxanthone -
Structure
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Xanthone 1 1
45 1,2-dimethoxyanthraquinone 4217712
Structure
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Anthraquinone 1 1
46 1,2-ethanediol-1-phenyl-diacetate 95008
Structure
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Glycol 1 1
47 1,2-tridecanediol 12351431
Structure
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Glycol 1 1
48 1,2-tridecanediol-1-O-alpha-L-5’-acetylarabinofuranoside -
Structure
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Fatty alcohol Fatty alcohol glycoside 1 1
49 1,2-tridecanediol-1-O-alpha-L-arabinofuranoside -
Structure
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Fatty alcohol Fatty alcohol glycoside 1 1
50 1,26-dimethyl hexacosanedioate 14325561
Structure
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Glyceride 1 1
51 1,3,4,6-O-tetrabenzyl-alpha-d-glucosamine 28407748
Structure
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Carbohydrate 1 1
52 1,3,4,6-tetra-O-acetyl-beta-d-fructofuranosyl tetraacetate alpha-d-glucopyranoside -
Structure
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Carbohydrate 1 1
53 1,3,5,6-tetrahydroxyxanthone 5479774
Structure
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Xanthone Tetrahydroxyxanthone 4 5
54 1,3,5,7-tetrahydroxyxanthone 71473686
Structure
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Xanthone Methoxyxanthone 2 3
55 1,3,5-trihydroxy-2-methoxyxanthone 5480342
Structure
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Xanthone 2 2
56 1,3,5-trihydroxyxanthone 5281663
Structure
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Xanthone 1 1
57 1,3,5-trimethoxybenzene 69301
Structure
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Phenolic 1 1
58 1,3,6,7-tetrahydroxyxanthone 5281656
Structure
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Xanthone Tetrahydroxyxanthone 4 5
59 1,3,6-tri-O-galloyl-beta-D-glucopyranoside 250395
Structure
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Tannin Hydrolyzable tannin 1 1
60 1,3,6-tri-O-galloyl-beta-D-glucose 452707
Structure
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Phenolic Polyphenol 1 1
61 1,3,6-trihydroxy-2-methoxyanthraquinone 11659239
Structure
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Quinone Anthraquinone 1 1
62 1,3,6-trihydroxy-7-methoxy-2,8-diprenylxanthone 5281650
Structure
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Xanthone 3 4
63 1,3,7-trideacetylkhivorin 46878932
Structure
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Terpenoid Limonoid 1 1
64 1,3,8-trihydroxyeudesm-4-en-7alpha,11betaH-12,6alpha-olide -
Structure
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Benzouran 1 1
65 1,3-bis (pentadecyl) benzene 90969120
Structure
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Alkyl benzene 1 1
66 1,3-di-O-galloyl glucose 162817582
Structure
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Phenolic Gallic acid derivative 1 1
67 1,3-di-O-galloyl-4,6-O-(S)-hexahydroxydiphenoyl-beta-D-glucose 163086348
Structure
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Tannin Ellagitannin 2 2
68 1,3-di-O-galloyl-4,6-O-(S)-hexahydroxydiphenoyl-beta-D-glucose -
Structure
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Tannin Hydrolyzable tannin 1 1
69 1,3-dihydroxy-2-methoxy-10-methyl-9-acridone 91739029
Structure
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Alkaloid Acridine alkaloid 1 1
70 1,3-dihydroxy-2-methoxymethyl-9,10-anthraquinone 102138994
Structure
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Quinone Naphthohydroquinone 1 1
71 1,3-dihydroxy-5-methoxyxanthone 12026489
Structure
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Quinone Xanthone 1 1
72 1,3-dihydroxy-7-methoxy-2(3-methylbut-2enyl) xanthone 44465828
Structure
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Xanthone 1 1
73 1,3-dimethoxy-N-methylacridone 83122
Structure
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Alkaloid Acridone alkaloid 1 1
74 1,3-dimethoxybenzene 9025
Structure
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Phenolic 1 1
75 1,3-dioxo-7alpha,11betaH-2,3-secogermacra-4E,10(14)-dien-12,6alpha-olide 101663347
Structure
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Terpenoid Sesquiterpene lactone 1 1
76 1,3-dioxo-7alpha,11betaH-2,3-secogermacra-4Z,9Z-dien-12,6alpha-olide 101663346
Structure
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Terpenoid Sesquiterpene lactone 1 1
77 1,3-propanediamine 428
Structure
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Aliphatic amine Monoalkylamine 1 1
78 1,4,5-trihydroxy-3-methoxy-6-(3,7,11,15,19-pentamethyleicosa-2,6,10,14,18-pentaenyl)naphthalene -
Structure
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Naphthalene derivative 1 1
79 1,4,6,8 tetrahydroxy-3 methyl anthraquinone 1-O-beta-D-glucopyranosyl-4,6-di-O-alpha-L-rhamnopyranoside -
Structure
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Anthaquinone Anthraquinone glycoside 1 1
80 1,4,6-trihydroxy-3-methoxy-2-(3-methyl-2-butenyl)-5-(1,1-dimethyl-prop-2-enyl)xanthone 46894020
Structure
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Xanthone 1 1
81 1,4-benzenediol diacetate 71006
Structure
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Phenolic 1 1
82 1,4-dihydroxyisoquinoline 231920
Structure
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Alkaloid Isoquinoline alkaloid 1 1
83 1,4-methanoazulen-7-(1H)-one, octahydro-4,8,8,9-tetramethyl 572868
Structure
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Terpenoid Sesquiterpene 1 1
84 1,5,12-trihydroxy-5-O-(2',3',6'-O-triacetyl-4'-O-angeloyl-beta-D-glucopyranosyl)-farsenol -
Structure
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Terpenoid Sesquiterpene glycoside 1 1
85 1,5,12-trihydroxy-5-O-(2',3'-O-diacetyl-4'-O-angeloyl-beta-D-glucopyranosyl)-farsenol -
Structure
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Terpenoid Sesquiterpene glycoside 1 1
86 1,5,12-trihydroxy-5-O-(3'-O-acetyl-4'-O-angeloyl-beta-D-glucopyranosyl)-farsenol -
Structure
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Terpenoid Sesquiterpene glycoside 1 1
87 1,5,12-trihydroxy-5-O-(4'-O-angeloyl-beta-D-glucopyranosyl)-farsenol -
Structure
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Terpenoid Sesquiterpene glycoside 1 1
88 1,5,15-O-trimethylmorindol 16203753
Structure
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Quinone Anthraquinone 1 1
89 1,5,6-trihydroxy-3,7-dimethoxyxanthone 5479778
Structure
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Xanthone 1 1
90 1,5,7-trihydroxy-6-methoxyxanthone -
Structure
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Xanthone Methoxyxanthone 2 3
91 1,5,8-trihydroxy-3,6,7-trimethoxyxanthone 162991657
Structure
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Xanthone 1 1
92 1,5,9-cyclododecatriene 5364361
Structure
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Terpenoid Sesquiterpene 1 1
93 1,5-di-O-caffeoylquinic acid 6474640
Structure
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Phenolic Hydroxycinnamic acid 3 4
94 1,5-di-O-caffeoylquinic acid 6474640
Structure
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Phenolic Hydroxycinnamic acid 10 12
95 1,5-dicaffeoylquinic acid 24720973
Structure
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Phenolic Phenolic glycoside 1 1
96 1,5-dihroxy-3-hydroxymethylanthraquinone 617886
Structure
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Quinone Anthraquinone 1 1
97 1,5-dihydroxy-2-methoxyxanthone 5377509
Structure
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Xanthone Xanthone derivative 1 1
98 1,5-dihydroxy-3,4-dimethoxy-2-methylanthraquinone 129882362
Structure
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Quinone Anthraquinone 1 1
99 1,5-dihydroxy-3-methoxy-7-methylanthraquinone 15138599
Structure
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Quinone Anthraquinone 1 1
100 1,5-dihydroxy-3-methoxyxanthone 5281651
Structure
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Xanthone 2 2