input word = C00038005

Metabolite InformationStructural formula
Name Vitisinol
Formula C30H22O12
Mw 574.11112617
CAS RN 280576-18-3
C_ID C00038005 ,
InChIKey BDMACDVLTOBWFC-PJTOGWIJNA-N
InChICode InChI=1S/C30H22O12/c31-13-7-20(37)24-22(8-13)40-28(12-2-4-16(33)19(36)6-12)30(24)25-23(41-29(30)39)10-17(34)14-9-21(38)26(42-27(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,21,26,28,31-38H,9H2/t21-,26-,28+,30+/m0/s1
SMILES c12c(c(cc3c1[C@]1(C(=O)O3)c3c(O[C@@H]1c1cc(c(cc1)O)O)cc(cc3O)O)O)C[C@@H]([C@@H](O2)c1cc(c(cc1)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeVitaceaeVitis amurensis Ref.
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