Database
Code Name IUPAC's Name SMILE
VE0XPA0AF Ácido rotundico (1R,2R,4aS,6aS,6bR,8aR,9R,10S,12aR,12bR,14bS)-1,10- dihydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a- hexamethyl- 1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b- icosahydropicene-4a-carboxylic acid C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@@]34C)[C@@H]2[C@]1(C)O)C(O)=O
VE0KQA0SI Copaeno (1R,2S,6S,7S,8S)-1,3-dimethyl-8-(propan-2- yl)tricyclo[4.4.0.0^{2,7}]dec-3-ene CC(C)[C@@H]1CC[C@]2(C)[C@H]3CC=C(C)[C@@H]2[C@@H]13
VE0QQA0AF Meridinol (3S,4R)-3,4-bis(2H-1,3-benzodioxol-5-ylmethyl)-3- hydroxyoxolan-2-one O[C@@]1(CC2=CC3=C(OCO3)C=C2)[C@H](CC2=CC=C3OCOC3=C2)COC1=O
VE0HSA0AF Melosatina C 4-[5-(4-methoxyphenyl)pentyl]-2,3-dihydro-1H- indole-2,3-dione COC1=CC=C(CCCCCC2=C3C(=O)C(=O)NC3=CC=C2)C=C1
VE0ERA0AF Imperatorina 5-hydroxy-9-(3-methylbut-2-en-1-yl)-2H-furo[3,2- g]chromen-2-one CC(C)=CCC1=C2OC(=O)C=CC2=C(O)C2=C1OC=C2
NAT002 Aspidolimine 1-[(1R,9R,12R,19R)-12-ethyl-6-hydroxy-5-methoxy- 8,16- diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca- 2,4,6-trien-8-yl]propan-1-one CCC(=O)N1[C@@H]2CC[C@@]3(CC)CCCN4CC[C@@]2([C@@H]34)C2=CC=C(OC)C(O)=C12
VE0PRA0AF 5-hidroxi cantin-6-ona 3-hydroxy-1,6- diazatetracyclo[7.6.1.0^{5,16}.0^{10,15}]hexadeca- 3,5,7,9(16),10(15),11,13-heptaen-2-one OC1=CC2=NC=CC3=C2N(C2=C3C=CC=C2)C1=O
VE0ZRA0AF 3,4’,7,8-tetra-O-metilgossipetina 5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,7,8- trimethoxy-4H-chromen-4-one COC1=C(O)C=C(C=C1)C1=C(OC)C(=O)C2=C(O1)C(OC)=C(OC)C=C2O
VE0LSA0SF 6α-Hidroxi-15-oxo-alodevadarool 1-[(2S,4aS,4bR,8aR,9S,10aR)-9-hydroxy-2,4a,8a- trimethyl-8-methylidene-tetradecahydrophenanthren-2- yl]-2-hydroxyethan-1-one C[C@@]1(CC[C@@]2(C)[C@@H](C[C@H](O)[C@]3(C)[C@@H]2CCCC3=C)C1)C(=O)CO
VE0VSA0AF α-terpineol 2-[(1R)-4-methylcyclohex-3-en-1-yl]propan-2-ol CC1=CC[C@@H](CC1)C(C)(C)O