input word = C00052491

Metabolite InformationStructural formula
Name (+)-Vitisin B
Formula C25H25O12
Mw 517.13460127
CAS RN 184362-10-5
C_ID C00052491
InChIKey ZFFLAEFKTXRRFR-FHBCLOHASA-O
InChICode InChI=1S/C25H24O12/c1-32-15-5-10(6-16(33-2)19(15)28)23-24(37-25-22(31)21(30)20(29)17(9-26)36-25)12-3-4-34-13-7-11(27)8-14(35-23)18(12)13/h3-8,17,20-22,25-26,29-31H,9H2,1-2H3,(H-,27,28)/p+1/t17-,20-,21+,22-,25+/m1/s1
SMILES COc1cc(-c2[o+]c3cc(O)cc4c3c(c2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C=CO4)cc(OC)c1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeVitaceaeVitis rotundifolia Ref.
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