input word = C00064571

Metabolite InformationStructural formula
Name Vitisinol A
Formula C28H20O6
Mw 452.12598837
CAS RN 848985-79-5
C_ID C00064571
InChIKey MZWZALRDXMEEEK-KXSOJQAOSA-N
InChICode InChI=1S/C28H20O6/c29-15-5-1-13(2-6-15)27-25-19-9-17(31)11-21-23(19)24-20(10-18(32)12-22(24)33-21)26(25)28(34-27)14-3-7-16(30)8-4-14/h1-12,25-32H/t25-,26+,27+,28-
SMILES Oc1ccc(C2OC(c3ccc(O)cc3)C3c4cc(O)cc5oc6cc(O)cc(c6c45)C23)cc1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeVitaceaeVitis amurensis Ref.
PlantaeVitaceaeVitis davidii Ref.
PlantaeVitaceaeVitis thunbergii Ref.
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OrganismVitis thunbergii
ReferenceSingh, B and Sharma, R. V., Secondary Metabolites of Medicinal Plants, Vol. 4, (2020), Wiley-VCH Verlag GmbH and Co. KGaA.