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521 Compounds Download CSV
# Compound Name PubChem ID Structure Class Subclass #Species #Ref.
1 2,6-di-C-methyl-dinicotinic acid 3,5-diethyl ester 245983
Structure
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Alkaloid Diethylester of nicotinic acid 1 1
2 2R,7R,8R-dihydroxydeepoxysarcophine 162988935
Structure
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Terpenoid Cembranoid diterpene 1 1
3 2-epi-16-deoxysarcophine 13245417
Structure
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Terpenoid Cembranoid diterpene 1 1
4 2-epi-sarcophine 162947399
Structure
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Terpenoid Cembranoid diterpene 1 1
5 2S,3R-4E,8E-2-(hexadecanoylamino)-docosa-4,8-diene-1,3-diol 134720246
Structure
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Ceramide 2 1
6 2S,3R-4E,8E-2-(octadecanoylamino)-octadeca-4,8-diene-1,3-diol 90657626
Structure
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Ceramide 2 1
7 2S,3R-4E-2-(octadecanoylamino)-octadec-4-ene-1-ol 162848656
Structure
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Ceramide 2 1
8 2(S),3',4'-dihydroxy-7-methoxyflavan 14157886
Structure
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Flavonoid Flavane 1 1
9 2-O-acetylchlidanthine 14413745
Structure
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Alkaloid Amaryllidaceae alkaloid 1 1
10 23-hydroxyhentriacontan-29-one 15730580
Structure
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Ketone 1 1
11 2',4,4'-trihydroxy-3'-methoxychalcone 6439187
Structure
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Flavonoid Chalcone 1 1
12 2,4-dihydroxy-6-methoxy-3-methylacetophenone 902138
Structure
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Acetophenone Polyoxygenated acetophenone 1 1
13 2,6-dimethoxy-4-hydroxyacetophenone 442904
Structure
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Acetophenone Polyoxygenated acetophenone 1 1
14 2''-alpha-L-rhamnopyranosyl-hyperin 101630468
Structure
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Flavonoid Flavonol glycoside 1 1
15 2''-O-alpha-L-rhamnopyranosylhyperin-6''-O-gallate 162817587
Structure
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Flavonoid Flavonol glycoside 1 1
16 2,3-di-O-galloyl glucose 21146989
Structure
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Phenolic Gallic acid derivative 1 1
17 2,4',6-trihydroxy-4-methoxybenzophenone-2-O-beta-D-glucopyranoside 162860804
Structure
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Benzophenone Benzophenone c-glycoside 1 1
18 24-methylcycloart-25(26)-en-3-one 162944137
Structure
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Terpenoid Triterpene 1 1
19 2-(3’,4’-dihydroxyphenyl) ethyl-3-O-alpha-L-rhamnopyranosyl-4-O-p-hydroxyphenylacetyl-6-O-caffeoyl-beta-D-glucopyranoside 162951213
Structure
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Phenolic Caffeic acid derivative 1 1
20 2-(3’,4’-dihydroxyphenyl) ethyl-3-O-alpha-L-rhamnopyranosyl-4-O-piperidine- 3-carboxylic acid-6-O-caffeoyl-alpha-D-glucopyranoside 162920035
Structure
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Phenolic Caffeic acid derivative 1 1
21 26,27-bisnorcholest-5,16-dien-23-yn-3beta,7alpha-diol 162817410
Structure
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Terpenoid Triterpene 1 1
22 28-hydroxysipholenol A 16738312
Structure
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Terpenoid Triterpene 1 1
23 20(S),24(R)-epoxydammarane-3alpha,17alpha,25-triol 162817404
Structure
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Terpenoid Dammarane triterpenoid 1 1
24 2-methylbutyl isothiocyanate 138225
Structure
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Isothiocyanate 1 1
25 2-furancarboxylic acid 6919
Structure
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Furan derivative 1 1
26 20-hydroxyecdysone 5459840
Structure
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Steroid Sterol 4 4
27 2alpha,3beta,17,19-tetracetoxyspongia-13-(16),14-diene 10577827
Structure
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Terpenoid Diterpenoid 1 1
28 2,3,4,6-tetragalloyl glucose 11520609
Structure
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Tannin Tannin 1 1
29 2,3:4,6-bis-hexahydroxydiphenyl-l-galloyl-beta-glucose 162817370
Structure
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Tannin Tannin 1 1
30 2-hydroxy-3-butenyl isothiocyanate 91751214
Structure
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Thiocyanate 1 1
31 2-phenyl ethanol 6054
Structure
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Monoaromatic 1 1
32 2-hydroxybut-3-enylglucosinolate 163098006
Structure
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Phenylpropene derivative 1 1
33 2-phenylethyl-beta-D-glucopyranoside 468284
Structure
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Phenolic Phenolic glycoside 2 2
34 2,4'-dihydroxy-3'-methoxyacetophenone 87530
Structure
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Phenolic 1 1
35 2,2,4-trimethyl-5-oxocyclohex-3-enecarboxylic acid 21631037
Structure
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Terpenoid Sesquiterpene lactone 1 1
36 2,2,3-trimethylnaphtalen-1(2H)-one 13702673
Structure
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Naphthalene derivative 1 1
37 2',5'-dihydroxy-4-methoxychalcone 5355888
Structure
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Flavonoid Chalcone 1 1
38 2,14-dioxoguaia-3-en-1alpha,5alpha,10beta,11betaH-12,6alpha-olide 101675248
Structure
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Terpenoid Sesquiterpene lactone 1 1
39 2,14-dioxoguaia-3-en-1alpha,5alpha,10alpha,11betaH-12,6alpha-olide 101675249
Structure
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Terpenoid Sesquiterpene lactone 1 1
40 2-oxoisodauc-5-en-12-al 14446658
Structure
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Terpenoid Sesquiterpene 1 1
41 2-((1R,2R)-2-acetyl-1-isopropylcyclopropyl)acetic acid 12444318
Structure
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Terpenoid Monoterpene 3 3
42 2,7,7-trimethylcyclohepta-2,4-dien-1-one 85794676
Structure
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Terpenoid Monoterpene 1 1
43 2-(5-ethenyl-5-methyloxolan-2-yl)-6-methylhept-5-en-3-one 519782
Structure
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Terpenoid Sesquiterpene 1 1
44 2beta-hydroxy-13-oxo-alpha-cyperene 14705668
Structure
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Terpenoid Sesquiterpene 1 1
45 2-amino-6-(1R,2S-dihydroxypropyl)-3-methylpterin-4-one 162817304
Structure
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Alkaloid 1 1
46 2'-deoxyuridine 13712
Structure
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Nucleoside 1 1
47 2-debromostevensine 21775271
Structure
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Alkaloid 1 1
48 2,3-dihydro-5,7-dihydroxy-3-((3Z,6Z,9Z,12Z,15Z)-octadeca-3,6,9,12,15-pentaenyl)chromen-4-one 13989926
Structure
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Phenolic Phloroglucinol derivative 1 1
49 2,3-dihydro-7-hydroxy-5-methyl-3-((3Z,6Z,9Z,12Z,15Z)-octadeca-3,6,9,12,15-pentaenyl)chromen-4-one -
Structure
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Phenolic Phloroglucinol derivative 1 1
50 2'',2'''-di-O-beta-glucopyranosyl-vicenin II 162817294
Structure
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Flavonoid Di-c-glucosylflavone 1 1
51 24-methylene cycloartanol 139585989
Structure
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Terpenoid Triterpenoid 1 1
52 24-methylene cycloart-3-one 162955413
Structure
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Terpenoid Triterpenoid 1 1
53 24-methylenecycloartanyl formate 162898922
Structure
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Terpenoid Triterpenoid 1 1
54 24-methylenecycloartanyl-2'E,4'E-decadienoate 162817248
Structure
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Terpenoid Triterpenoid 1 1
55 20-deoxy-ingenol-3-O-angelate -
Structure
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Terpenoid Diterpenoid 1 1
56 20-deoxy-ingenol 11290503
Structure
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Terpenoid Diterpenoid 1 1
57 20-deoxyingenol-3,5-diacetate 162817235
Structure
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Terpenoid Diterpenoid 1 1
58 24-methylenecycloartane-3,28-diol 52953106
Structure
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Terpenoid Triterpene 1 1
59 25-hydroperoxycycloart-3beta-ol 162817214
Structure
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Terpenoid Triterpenoid 1 1
60 25-hydroperoxycycloart-23E-en-3beta-ol 162842363
Structure
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Terpenoid Triterpenoid 1 1
61 24-methylencycloartanol 162896984
Structure
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Terpenoid Triterpenoid 1 1
62 24,25-epoxycycloartanol 162854084
Structure
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Steroid Sterol 1 1
63 2,3',4,5',6-pentahydroxybenzophenone 4-O-(6''-benzoyl)-beta-D-glucopyranoside 71712663
Structure
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Phenolic Benzophenone glycoside 1 1
64 2,3',4,5',6-pentahydroxybenzophenone 4-O-beta-D-glucopyranoside 71712664
Structure
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Phenolic Benzophenone glycoside 1 1
65 2,3',4,5',6-pentahydroxybenzophenone 2-O-(2''-benzoyl)-alpha-L-arabinopyranoside 71712665
Structure
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Phenolic Benzophenone glycoside 1 1
66 2,3',4,5',6-pentahydroxybenzophenone 2-O-alpha-L-arabinopyranoside 71712666
Structure
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Phenolic Benzophenone glycoside 1 1
67 2,3',4,5',6-pentahydroxybenzophenone 2-O-(4''-acetyl)-beta-D-xylopyranoside 42603669
Structure
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Phenolic Benzophenone glycoside 1 1
68 2,3',4,5',6-pentahydroxybenzophenone 3-C-(4''-benzoyl)-beta-D-glucopyranoside 163020467
Structure
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Phenolic Benzophenone glycoside 1 1
69 2,5-dihydroxybenzaldehyde 70949
Structure
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Phenolic 1 1
70 2,5-dihydroxybenzyl alcohol 188287
Structure
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Phenolic 1 1
71 2,3,4-trihydroxy-6-(methoxymethyl)-5-methylbenzaldehyde 76324771
Structure
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Polyketide 1 1
72 20-hydroxy,24-hydroxymethyl ecdysone 163048289
Structure
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Steroid Ecdysteroid 1 1
73 20-hydroxyecdysone-20,22-monoacetonide 162999975
Structure
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Steroid Ecdysteroid 1 1
74 2,6-dihydroxyfissinolide 11800684
Structure
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Terpenoid Limonoid 1 1
75 2-hydroxyseneganolide 102019659
Structure
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Terpenoid Limonoid 1 1
76 2-hydroxy-3-O-tigloylswietenolide 101396725
Structure
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Terpenoid Limonoid 1 1
77 2-hydroxy-6-deacetoxyswietenine 162917518
Structure
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Terpenoid Limonoid 1 1
78 2-hydroxyswietenine 76326957
Structure
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Terpenoid Limonoid 1 1
79 2-hydroxyswietenin 101945543
Structure
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Terpenoid Limonoid 1 1
80 2,3-O-hexahydroxydiphenoyl-(alpha/beta)-D-(4)C(1)-glucopyranose 14035453
Structure
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Tannin Ellagitannin 1 1
81 28-norlup-20(29)-en-3beta-hydroxy-17beta-hydroperoxide 26975211
Structure
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Terpenoid Triterpene 1 1
82 20S-17beta,29-epoxy-28-norlupan-3beta-ol 162872511
Structure
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Terpenoid Triterpene 1 1
83 28-norlup-20(29)-en-3beta,17beta-diol 163009603
Structure
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Terpenoid Triterpene 1 1
84 2alpha,3beta-dihydroxyurs-12-en-28-oic acid 165244
Structure
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Terpenoid Triterpene 1 1
85 2-(carboxymethylamino)benzoic acid 69161
Structure
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Monoaromatic Homophthalic acid 2 2
86 2-O-galloyl 3-O-valoneoyl dilactone-(alpha/beta)-4C1-glucopyranose 163033013
Structure
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Tannin Ellagitannin 1 1
87 2,3-di-O-galloylglucose 471118
Structure
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Phenolic Phenolic glycoside 2 2
88 2,5-dimethyl-7-hydroxychromone 5316891
Structure
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Phenolic A chromone derivative 4 4
89 2alpha,16-dihydroxy-4beta-carboxy-O-beta-D-glucopyranosyl-19-nor-totarol 163081939
Structure
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Terpenoid 1 1
90 2,5-O-dimethylembelin 5086864
Structure
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Benzoquinone 1 1
91 2,5-O-diacetylembelin 4646381
Structure
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Benzoquinone 1 1
92 2-methyl-2-butenyl (E)-caffeate 14767362
Structure
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Phenolic Caffeic acid derivative 1 1
93 2-cyanoacetamide 7898
Structure
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Amide 1 1
94 2,5-dihydroxybenzoic acid-2-O-beta-4C1-glucopyranoside 49859721
Structure
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Phenolic 1 1
95 2''-O-alpha-rhamnopyranosylvitexin 25068592
Structure
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Flavonoid Flavonoid glycoside 1 1
96 2-(4-carboxy-3-methoxystyryl)-2-methoxysuccinic acid 101251749
Structure
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Monoaromatic 1 1
97 2,3-hexahydroxydiphenoxyl-(alpha/beta)-glucose 162817110
Structure
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Phenolic Phenolic glycoside 1 1
98 2''-O-rhamnosylvitexin 86289611
Structure
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Flavonoid Flavonoid glycoside 1 1
99 2-methylphenylmethanol beta-gentiobioside 162948013
Structure
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Glycoside Monoaromatic glycoside 1 1
100 2-(2'-hydroxy-4'-methoxyphenyl)-5,8-dimethoxy-3-propyl-1H-quinolin-4-one 24766568
Structure
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Alkaloid Quinolinone alkaloid 1 1