Database
Code Name IUPAC's Name SMILE
VE0JNA0AF 6-acetoxicedrodorina methyl 2-[(1S,2S,5S,6R,10S,11R,13R,14R,16S)-6- (furan-3-yl)-2,10-dihydroxy-1,5,14,15,15- pentamethyl-8,17-dioxo-7,18- dioxapentacyclo[11.3.1.1^{11,14}.0^{2,11}.0^{5,10}]octadecan- 16-yl]acetate COC(=O)C[C@H]1C(C)(C)[C@]2(C)O[C@@]34C[C@H]2C(=O)[C@]1(C)[C@@]3(O)CC[C@@]1(C)[C@@H](OC(=O)C[C@@]41O)C1=COC=C1
VE0RNA0AF 13-Hidroxi-2-oxo-cleroda-3-4-dieno (4aR,7S,8R,8aR)-8-[(3R)-3-hydroxy-3-methylpent-4- en-1-yl]-4,4a,7,8-tetramethyl-1,2,4a,5,6,7,8,8a- octahydronaphthalen-2-one C[C@H]1CC[C@]2(C)[C@H](CC(=O)C=C2C)[C@]1(C)CC[C@@](C)(O)C=C
VE0ZNA0SF Fridelina (4R,4aS,6aS,6bR,8aR,12aR,12bS,14aS,14bS)- 4,4a,6b,8a,11,11,12b,14a-octamethyl- docosahydropicen-3-one C[C@H]1C(=O)CC[C@@H]2[C@]1(C)CC[C@H]1[C@@]2(C)CC[C@@]2(C)[C@@H]3CC(C)(C)CC[C@]3(C)CC[C@]12C
VE0LOA0AF Deidaclina (1R)-1-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6- (hydroxymethyl)oxan-2-yl]oxy}cyclopent-2-ene-1- carbonitrile OC[C@H]1O[C@@H](O[C@@]2(CCC=C2)C#N)[C@H](O)[C@@H](O)[C@@H]1O
VE0OOA0AF Phytolacagenina (2S,4aR,6aS,6bR,8aS,9R,10R,11S,12aR,12bR,14bR)- 10,11-dihydroxy-9-(hydroxymethyl)-2- (methoxycarbonyl)-2,6a,6b,9,12a-pentamethyl- 1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b- icosahydropicene-4a-carboxylic acid COC(=O)[C@@]1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@H](O)[C@H](O)[C@@](C)(CO)[C@H]5CC[C@@]34C)[C@H]2C1)C(O)=O
VE0POA0AF Ácido jaligonico (2S,4aR,6aS,6bR,8aS,9R,10R,11S,12aR,12bR,14bR)- 10,11-dihydroxy-9-(hydroxymethyl)-2,6a,6b,9,12a- pentamethyl- 1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b- icosahydropicene-2,4a-dicarboxylic acid C[C@@]1(CO)[C@@H](O)[C@@H](O)C[C@@]2(C)[C@@H]1CC[C@]1(C)[C@@H]2CC=C2[C@H]3C[C@](C)(CC[C@@]3(CC[C@@]12C)C(O)=O)C(O)=O
NAT001 Annomalida (1S,2S,5R,9R,12R,13S,18R)-13-hydroxy-5-(2- hydroxyacetyl)-5,12-dimethyl-10,14- dioxapentacyclo[11.2.2.11,9.02,7.012,18 ]octadec-7- en-11-one C[C@]12[C@@H]3[C@H](OC1=O)C=C1C[C@@](C)(CC[C@@H]1[C@@]31CC[C@]2(O)OC1)C(=O)CO
VE0GPA0AF 1,5-diidroxi-2,3-dimetoxixantona 1,5-dihydroxy-2,3-dimethoxy-9H-xanthen-9-one COC1=CC2=C(C(O)=C1OC)C(=O)C1=C(O2)C(O)=CC=C1
VE0HPA0AF Auraptena 7-{[(2E)-3,7-dimethylocta-2,6-dien-1-yl]oxy}-2H- chromen-2-one CC(C)=CCC\C(C)=C\COC1=CC=C2C=CC(=O)OC2=C1
VE0MPA0AF Pilosanol A (1S,2R,4S,4aS,8aR)-4-hydroxy-1-[(3Z)-5-hydroxy-3- (hydroxymethyl)pent-3-en-1-yl]-1,2,5-trimethyl- 1,2,3,4,4a,7,8,8a-octahydronaphthalene-4a- carbaldehyde C[C@@H]1C[C@H](O)[C@]2(C=O)[C@H](CCC=C2C)[C@@]1(C)CC\C(CO)=C\CO
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