input word = C00045435

Metabolite InformationStructural formula
Name Vibsanol A
(+)-Vibsanol A
Formula C25H36O6
Mw 432.25118888
CAS RN 443776-35-0
C_ID C00045435 ,
InChIKey BFHUVBRMXMQPJH-VRXVRKEENA-N
InChICode InChI=1S/C25H36O6/c1-18(2)16-22(28)31-21-10-14-24(5,12-7-11-23(3,4)29)13-8-19(17-26)20(27)9-15-25(21,6)30/h7-11,14-16,21,26,29-30H,12-13,17H2,1-6H3/b11-7+,14-10+,15-9-,19-8-/t21-,24+,25-/m1/s1
SMILES CC(C)=CC(=O)O[C@@H]1/C=C/[C@@](C)(C/C=C/C(C)(C)O)C/C=C(/CO)C(=O)/C=C[C@@]1(C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAdoxaceaeViburnum odoratissimum Ref.
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