Database
Code Name IUPAC's Name SMILE
VE0ETA0SI Acetofenona 1 1-{4-methyl-3-[(3E)-penta-1,3-dien-2- yl]phenyl}ethan-1-one [H]C([H])=C(\C([H])=C(/[H])C([H])([H])[H])C1=C(C([H])=C([H])C(=C1[H])C(=O)C([H])([H])[H])C([H])([H])[H]
VE0DTA0SI Tridecapentaineno glaucolideo B [(1S,2R,4R,8S,10S)-8,10-bis(acetyloxy)-4,8- dimethyl-7,13-dioxo-3,14- dioxatricyclo[9.3.0.0^{2,4}]tetradec-11-en-12- yl]methyl acetate [H]C([H])([H])C(=O)OC([H])([H])C1=C2[C@]([H])(OC1=O)[C@@]1([H])O[C@]1(C([H])([H])[H])C([H])([H])C([H])([H])C(=O)[C@](OC(=O)C([H])([H])[H])(C([H])([H])[H])C([H])([H])[C@]2([H])OC(=O)C([H])([H])[H]
VE0FTA0AF Procumbetina 4S)-4-amino-5-{[5-hydroxy-3,6-dimethoxy-4-oxo-2- (2,3,4-trihydroxyphenyl)-4H-chromen-7-yl]oxy}-5- oxopentanoic acid [H]OC(=O)C([H])([H])C([H])([H])[C@]([H])(N([H])[H])C(=O)OC1=C([H])C2=C(C(=O)C(OC([H])([H])[H])=C(O2)C2=C(O[H])C(O[H])=C(O[H])C([H])=C2[H])C(O[H])=C1OC([H])([H])[H]
VE0NTA0SI Ácido crisofânico 1,8-dihydroxy-3-methyl-9,10-dihydroanthracene-9,10-dione [H]OC1=C2C(=O)C3=C(O[H])C([H])=C(C([H])=C3C(=O)C2=C([H])C([H])=C1[H])C([H])([H])[H]
VE0OTA0AF Ácido arjunolico (4aS,6aS,6bR,8aS,9R,10R,11R,12aR,12bR,14bS)-10,11- dihydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a- hexamethyl1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylic acid [H]OC(=O)[C@]12C([H])([H])C([H])([H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])[C@@]1([H])C1=C([H])C([H])([H])[C@]3([H])[C@@]4(C([H])([H])[H])C([H])([H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@](C([H])([H])[H])(C([H])([H])O[H])[C@@]4([H])C([H])([H])C([H])([H])[C@@]3(C([H])([H])[H])[C@]1(C([H])([H])[H])C([H])([H])C2([H])[H]
VE0QTA0AF IsoipangulinaB [(1R,7R,7aR)-7-{[2-(3-hydroxyphenyl)acetyl]oxy}- hexahydro-1H-pyrrolizin-1-yl]methyl (2S,3S)-2,3- dihydroxy-2-methylbutanoate [H]OC1=C([H])C(=C([H])C([H])=C1[H])C([H])([H])C(=O)O[C@]1([H])C([H])([H])C([H])([H])[N@]2C([H])([H])C([H])([H])[C@@]([H])(C([H])([H])OC(=O)[C@](O[H])(C([H])([H])[H])[C@@]([H])(O[H])C([H])([H])[H])[C@]12[H]
VE0CUA0AF Ácido-ent-Kaur-16-eno-15-oxo-18-oico (1R,4S,5S,9S,10S,13R)-5,9-dimethyl-14-methylidene- 15- oxotetracyclo[11.2.1.0^{1,10}.0^{4,9}]hexadecane-5- carboxylic acid [H]OC(=O)[C@@]1(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])[C@@]2(C([H])([H])[H])[C@]3([H])C([H])([H])C([H])([H])[C@@]4([H])C(=C([H])[H])C(=O)[C@@]3(C4([H])[H])C([H])([H])C([H])([H])[C@]12[H]
VE0BUA0AF Ácido ent-Kaur-16-em-19-oico (1R,4S,5R,9S,10S,13R)-5,9-dimethyl-14,15- dimethylidenetetracyclo[11.2.1.0^{1,10}.0^{4,9}]hexadecane-5- carboxylic acid [H]OC(=O)[C@]1(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])[C@@]2(C([H])([H])[H])[C@]3([H])C([H])([H])C([H])([H])[C@@]4([H])C(=C([H])[H])C(=C([H])[H])[C@@]3(C4([H])[H])C([H])([H])C([H])([H])[C@]12[H]
VE0LUA0AF olen-18-eno[16-β-hidroxiolean-18-em-3-ona (4aS,6aR,6bR,8S,8aS,12bR,14aR,14bR)-8-hydroxy- 4,4,6a,6b,8a,11,11,14b-octamethyl- 1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12b,13,14,14a,14b- icosahydropicen-3-one [H]O[C@@]1([H])C([H])([H])[C@]2(C([H])([H])[H])[C@]([H])(C3=C([H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])C([H])([H])[C@]13C([H])([H])[H])C([H])([H])C([H])([H])[C@]1([H])[C@@]3(C([H])([H])[H])C([H])([H])C([H])([H])C(=O)C(C([H])([H])[H])(C([H])([H])[H])[C@@]3([H])C([H])([H])C([H])([H])[C@@]21C([H])([H])[H]
VE0ZUA0SF (-)-Duartina (3R)-7-hydroxy-3-(3-hydroxy-2,4-dimethoxyphenyl)-8- methoxy-3,4-dihydro-2H-1-benzopyran-4-one [H]OC1=C(OC([H])([H])[H])C2=C(C([H])=C1[H])C(=O)[C@]([H])(C1=C(OC([H])([H])[H])C(O[H])=C(OC([H])([H])[H])C([H])=C1[H])C([H])([H])O2