input word = C00037982

Metabolite InformationStructural formula
Name Vernoguinoside
Formula C35H52O11
Mw 648.3509625
CAS RN 438056-91-8
C_ID C00037982 ,
InChIKey IUAADJZSNKQVBP-SLHZZZMONA-N
InChICode InChI=1S/C35H52O11/c1-15(2)35(42,16(3)37)30-29-24(31(41)46-30)25-22(44-29)13-21-19-7-6-17-12-18(8-10-33(17,4)20(19)9-11-34(21,25)5)43-32-28(40)27(39)26(38)23(14-36)45-32/h13,15,17-18,22-32,36,38-42H,6-12,14H2,1-5H3/t17-,18-,22+,23+,24-,25+,26+,27-,28+,29+,30-,31-,32+,33-,34-,35+/m0/s1
SMILES CC(=O)C(O)(C(C)C)[C@H]1O[C@H](O)[C@@H]2[C@H]1O[C@H]1C=C3C4=C(CC[C@]3(C)[C@@H]21)[C@@]1(C)CC[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C[C@@H]1CC4
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeVernonia guineensis Ref.
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