input word = C00044006

Metabolite InformationStructural formula
Name Vibsanin W
(+)-Vibsanin W
Formula C25H38O7
Mw 450.26175357
CAS RN 666825-27-0
C_ID C00044006 ,
InChIKey QITBJTPHBLIQAN-FMIVXFBMNA-N
InChICode InChI=1S/C25H38O7/c1-16(2)13-22(29)32-12-9-20-19(14-17(3)27)23(30)18(15-26)7-10-25(20,6)11-8-21(28)24(4,5)31/h7,9,12-13,19-21,26,28,31H,8,10-11,14-15H2,1-6H3/b12-9+/t19-,20-,21+,25+/m0/s1
SMILES C1(=CC[C@]([C@H]([C@@H](C1=O)CC(=O)C)/C=C/OC(=O)C=C(C)C)(C)CC[C@@H](O)C(C)(O)C)CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAdoxaceaeViburnum awabuki Ref.
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OrganismViburnum awabuki
ReferenceEl-Gamal,J.Nat.Prod.,67,(2004),333