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823 Compounds Download CSV
# Compound Name PubChem ID Structure Class Subclass #Species #Ref.
101 3,4-dimethyl-octane 85926
Structure
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Alkane 1 1
102 3,4-dimethylcyclohexanol 97960
Structure
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Alcohol 1 1
103 3,4-dimethylphenol beta-gentiobioside 102341728
Structure
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Glycoside Monoaromatic glycoside 1 1
104 3,4-dioxo-guaia-1alpha,5alphaH-11(13)-en-6beta,12-olide 163031835
Structure
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Terpenoid Sesquiterpene lactone 1 1
105 3,4-seco-lanosta-4(28),7,24-triene-3,21-dioic acid (13alpha,14beta,20s) -
Structure
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Terpenoid Triterpene glycoside 1 1
106 3,4-seco-mansumbinoic acid 163037638
Structure
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Terpenoid Octanordammarane 1 1
107 3,4-secotirucalla-21-formyl-23-oxo-4(28),7,24-trien-3-oic acid 101773015
Structure
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Terpenoid Triterpene 2 2
108 3,4-secotirucalla-23-oxo-4(28),7,24-trien-3,21-dioic acid (21-methyl ester) 162983295
Structure
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Terpenoid Triterpene 1 1
109 3,4-secotirucalla-4(28),7,24-trien-3,21-dioic acid -
Structure
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Terpenoid Triterpene 1 1
110 3,4beta-dihydrosamaderine C 21574501
Structure
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Terpenoid Triterpene lactone 1 1
111 3,4’-diacetoxy-5-methoxy-2-prenylsrilbene -
Structure
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Flavonoid Prenylflavone 1 1
112 3,4’-dihydroxy-5-methoxy-2-prenylstilbene 101665864
Structure
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Stilbene Prenylated stilbene 1 1
113 3,4′-dimethoxy-7-O- beta-glucopyranoside quercetin -
Structure
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Flavonoid Flavanol glycoside 1 1
114 3,4′-dimethoxy-7-O-beta-(6′′-galloylgluco-pyranoside) quercetin -
Structure
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Flavonoid Flavanol glycoside 1 1
115 3,5'-dimethyl myricetin 7-O-glucoside 162816987
Structure
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Flavonoid Flavonol glycoside 1 1
116 3,5,3'-trihydroxy-7,4'-dimethoxyflavone 5320287
Structure
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Flavonoid Flavone 1 1
117 3,5,3’,4’-tetramethoxystilbene 5387294
Structure
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Stilbene Prenylated stilbene 1 1
118 3,5,4'-trihydroxy-7-methoxyflavanone 5319509
Structure
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Flavonoid Flavanol aglycone 1 1
119 3,5,4’-trimethoxy-2-prenylstilhene 101665863
Structure
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Stilbene Prenylated stilbene 1 1
120 3,5,4′-trimethoxystilbene 5388063
Structure
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Stilbene Prenylated stilbene 1 1
121 3,5,6,7,8,2',4',5'-octohydroxyflavone -
Structure
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Flavonoid Flavonol glycoside 1 1
122 3,5,6-trihydroxy-7-methoxy-3-(3'-hydroxy-4'-methoxybenzyl)-4-chromanone 91083756
Structure
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Flavonoid Homoisoflavonoid 1 1
123 3,5,7-trihydroxy-3-(3'-hydroxy-4'-methoxybenzyl)-4-chromanone 91551865
Structure
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Flavonoid Homoisoflavonoid 1 1
124 3,5,7-trihydroxy-3-(4'-hydroxybenzyl)-4-chromanone 73073650
Structure
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Flavonoid Homoisoflavonoid 1 1
125 3,5,7-trihydroxy-3-(4’-methoxybenzyl)-4-chromanone 12309804
Structure
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Flavonoid Homoisoflavonoid 2 2
126 3,5,7-trihydroxy-8-methoxyflavone 5378234
Structure
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Flavonoid 1 1
127 3,5,7-trihydroxy-carvotacetone -
Structure
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Terpenoid Carvotacetone derivative 1 1
128 3,5- dihydroxy-7,4'-dimethoxyflavone 5378823
Structure
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Flavonoid Flavonoid aglycone 5 6
129 3,5-di-O-caffeoylquinic acid 13604687
Structure
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Phenolic 1 1
130 3,5-di-O-caffeoylquinic acid 1-methyl ether 162985666
Structure
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Phenolic Hydroxycinnamic acid 1 2
131 3,5-diacetoxy-benzylalcohol 587665
Structure
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Phenolic 1 1
132 3,5-dicaffeoylquinic acid 6474310
Structure
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Phenolic Hydroxycinnamic acid 3 3
133 3,5-dicaffeoylquinic acid 6474310
Structure
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Phenolic Phenolic glycoside 1 1
134 3,5-dihydroxy-3',4',7-trimethoxyflavone 5748558
Structure
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Flavonoid Flavone 2 2
135 3,5-dihydroxy-7,8-dimethoxy-3-(3',4'-dimethoxybenzyl)-4-chromanone 90848764
Structure
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Flavonoid Homoisoflavonoid 1 1
136 3,5-dihydroxy-7,8-dimethoxy-3-(3'-hydroxy-4'-methoxybenzyl)-4-chromanone 91220081
Structure
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Flavonoid Homoisoflavonoid 1 1
137 3,5-dihydroxy-7-methoxy-3-(3',4'-dimethoxybenzyl)-4-chromanone 90942759
Structure
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Flavonoid Homoisoflavonoid 1 1
138 3,5-dihydroxyacetophenone-4-O-beta-D-glucopyranoside -
Structure
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Phenolic Phenolic glycoside 1 1
139 3,5-dihydroxybenzoic acid-O-glucose -
Structure
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Phenolic 1 1
140 3,5-dimethoxy-4'-hydroxystilbene 5281727
Structure
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Stilbenoid 1 1
141 3,5-dimethoxy-4'-O-(beta-rhamnopyranosyl-(1→6)-beta-glucopyranoside)-stilbene -
Structure
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Stilbenoid Stilbene glycoside 1 1
142 3,5-dimethoxybenzaldehyde 81747
Structure
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Phenolic 1 1
143 3,5-hexalobine C 11778693
Structure
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Alkaloid Indole alkaloid 1 1
144 3,5-hexalobine D 10062382
Structure
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Alkaloid Indole alkaloid 1 1
145 3,5-octadien-2-one 5352876
Structure
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Lipid 1 1
146 3,6''-Di-C-beta-glucopyranosyl-methylene-(6,8'')-biapigenin 162857855
Structure
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Flavonoid Flavone-di-c-glycoside 1 1
147 3,6,8-trihydroxy-2-(3,4-dihydroxylphenyl)-4H-chrom-4-one -
Structure
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Flavonoid Flavone 1 1
148 3,6-di-O-caffeoyl-(alpha/beta)-glucose -
Structure
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Phenolic Caffeoyl ester 1 1
149 3,6-di-O-galloyl-(alpha/beta)-4C1- glucopyranose -
Structure
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Polyphenolic Galloyl glucoses 1 1
150 3,6-diacetoxytropane 565072
Structure
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Alkaloid 1 1
151 3,6-diacetylcladiellisin 46888463
Structure
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Terpenoid Eunicellin-type diterpene 1 1
152 3,6-dihydro-3-((R)-1-((2S,5R)-tetrahydro-5-methyl-5-vinylfuran-2-yl)ethyl)-6,6-dimethyl-1,2-dioxin-3-ol 101675252
Structure
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Terpenoid Sesquiterpene endoperoxide 2 2
153 3,6-dihydroxy-1,2-dimethoxyanthraquinone 156025502
Structure
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Quinone Anthraquinone 1 1
154 3,6-dihydroxy-p-menth-1-ene 13919075
Structure
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Terpenoid Sesquiterpene 1 1
155 3,6-dihydroxytropane 68871695
Structure
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Alkaloid 1 1
156 3,6-dihyroxy-1,7-dimethyl-9-methoxyphenanthrene 390663
Structure
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Phenanthrene 1 1
157 3,6-diprenyl pterocarp-6a-ene -
Structure
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Flavonoid Isoflavone 1 1
158 3,6-ditigloyloxy-7-hydroxytropane 12960452
Structure
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Alkaloid 1 1
159 3,6-ditigloyloxytropane 6452084
Structure
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Alkaloid 1 1
160 3,7,4'-trihydroxyflavone 5281611
Structure
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Flavonoid Flavone 1 1
161 3,7-dideacetylkhivorin 46878893
Structure
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Terpenoid Limonoid 1 1
162 3,7-dihydroxy-2-(4-hydroxyphenyl)-5,6,8-trimethoxy-4H-chromen-4-one -
Structure
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Flavonoid Flavonol 1 1
163 3,7-dihydroxy-5,8-dimethoxyflavanone 4984593
Structure
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Flavonoid 1 1
164 3,7-dihydroxy-5,8-dimethoxyflavone -
Structure
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Flavonoid 1 1
165 3,7-dihydroxy-5-tigloyloxycarvotacetone -
Structure
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Terpenoid Carvotacetone derivative 1 1
166 3,7-dihydroxy-6-(2'-methylbutyryloxy)tropane 123987526
Structure
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Alkaloid 1 1
167 3,7-dihydroxy-6-propionyloxytropane 123970916
Structure
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Alkaloid 1 1
168 3,7-dihydroxy-6-tigloyloxytropane 91750071
Structure
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Alkaloid 1 1
169 3,7-dimethyl-1-octene-3,6,7-triol-6-O-beta-D-glucopyranoside -
Structure
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Terpenoid Monoterpene glycoside 1 1
170 3,7-dimethyl-oct-1-en-3,6,7-triol-6-O-beta-D-glucopyranoside 21630865
Structure
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Terpenoid Glycosylated monoterpene 1 1
171 3,7-dimethyloct-6-en-1-yl propanoate 8834
Structure
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Terpenoid Monoterpene ester 1 1
172 3,8-dihydroxy-6-methoxy-1-methylanthraquinone-2-carboxylic acid 14213578
Structure
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Quinone Anthraquinone 1 1
173 3,9-diacetoxy-13-hydroxy-1(10),4,7(11)-germacra-trien-12,6-olide 101936581
Structure
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Terpenoid Sesquiterpene lactone 1 1
174 3,9-dihydroxy-4-prenyl-[6aR:11aR]pterocarpan 46880035
Structure
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Flavonoid Pterocarpan 1 1
175 3- hydroxy-5-(4-hydroxybenzyl)-4-(4-hydroxyphenyl)furan-2(5H)-one 145960141
Structure
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Lactone Butyrolactone derivative 1 1
176 3- O-[beta-D-glucopyranosyl-(1→2)-beta-D-glucuronopyranosyl] hederagenin 28-O-[alpha-L-rhamnopyranosyl-(1→4)-beta-D-glucopyranosyl-(1→6)-beta-D-glucopyranosyl] ester 163006499
Structure
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Saponin Oleanane-type saponin 1 1
177 3-((Z)-heptadec-13- enyl) benzene-1,2-diol -
Structure
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Phenolic 1 1
178 3-(1,1-dimethyl allyl) xanthyletin 14133592
Structure
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Coumarin 1 1
179 3-(1,1-dimethyl-but-2-enyl)-5-(3-methyl-but-2-enyl)-1H-indole 91263316
Structure
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Alkaloid Indole alkaloid 1 1
180 3-(1,3-benzodioxol-5-yl)-5,6,7-trimethoxy-4H-1-benzopyran-4-one 21723648
Structure
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Flavonoid Isoflavonoid 1 1
181 3-(1-(2,4-dihydroxyphenyl)-3,3-bis(4-hydroxyphenyl)-1-oxopropan-2-yl)-7-methoxy-4H-chromone-4-one -
Structure
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Flavonoid Biflavonoid 1 1
182 3-(1-hydroxyethyl)-4-methyl dihydrofuran-2(3H)-one 162999226
Structure
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Furanone derivative 1 1
183 3-(1-methoxy-4-pentylphenyl)-7-(1-methoxy-4-propylphenyl)-5′′-phenyl-6′′-(hydroxymethyl)-5′′,6′′ dihydro [1,4] dioxino[2′′,3′′:3′,4′] flavan -
Structure
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Flavonoid Flavanolignan 1 1
184 3-(10-acetoxygeranyl)-4-acetoxy-p-coumaric acid -
Structure
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Phenolic 1 1
185 3-(10-hydroxygeranyl)-4-hydroxy-p-coumaric acid -
Structure
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Phenolic 1 1
186 3-(1′,1′-dimethylallyl)-3-(3′′,3′′-dimethylallyl)-1,2,3,4-tetrahydro-2,4-quinoldione 461150
Structure
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Alkaloid Quinoline alkaloid 1 1
187 3-(2',3'-dihydroxy-3'-methylbutyl)-5-(3′′-methylcrotonoyl) indole 85101032
Structure
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Alkaloid Indole alkaloid 1 1
188 3-(2'-hydroxyethyl)-5-(2''-hydroxypropyl)-dihydrofuran-2(3H)-one 11008662
Structure
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Terpenoid Iridoid 1 1
189 3-(2'-phenylpropionyloxy)tropane 10401092
Structure
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Alkaloid 1 1
190 3-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2-propenal 107614
Structure
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Cycloalkene 1 1
191 3-(2-hydroxyphenyl)-5,7-dimethoxy-6-(methoxymethyl)-4H-1-benzopyran-4-one 169502524
Structure
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Flavonoid Isoflavone 1 1
192 3-(2-N-acetyl-N-methylaminoethyl)indole 383154
Structure
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Alkaloid Indole alkaloid 1 1
193 3-(3', 4'-methylenedioxyphenyl)-2,3-epoxypropanol -
Structure
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Phenolic 1 1
194 3-(3'-acetoxy-2'-hydroxy-2'-methyl butyryl)-cuauhtemone 162927440
Structure
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Terpenoid Sesquiterpene 1 1
195 3-(3'-acetoxy-2'-hydroxy-2'-methyl butyryl)-cuauhtemone 162923045
Structure
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Terpenoid Sesquiterpene 1 3
196 3-(3'-acetoxytropoyloxy)tropane 15558241
Structure
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Alkaloid 1 1
197 3-(3'-methoxytropoyloxy)tropane 123970977
Structure
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Alkaloid 1 1
198 3-(3,4-dihydrophenyl)propyl 4-methylvalerate 162826830
Structure
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Terpenoid Sesquiterpene 1 1
199 3-(3,4-dimethoxyphenyl)-6-methoxy-8,8-dimethyl-4H,8H-benzo[1,2-b:3,4-b']dipyran-4-one 1023565
Structure
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Flavonoid Isoflavone 1 3
200 3-(3,4-dimethoxyphenyl)-8-(3-methylbut-2-enyl)-6-methoxy-7-hydroxybenzopyran-4-one 15292822
Structure
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Flavonoid Isoflavone 1 1