input word = C00064572

Metabolite InformationStructural formula
Name Vitisinol B
Formula C35H26O8
Mw 574.16276781
CAS RN 848985-80-8
C_ID C00064572
InChIKey LIOBMRCYNQGSIE-KLSCSJJOSA-N
InChICode InChI=1S/C35H26O8/c36-16-17-1-10-27(41)24(11-17)31-25-13-23(40)15-29-33(25)34(35(43-29)19-4-8-21(38)9-5-19)26-12-22(39)14-28(42)32(26)30(31)18-2-6-20(37)7-3-18/h1-16,30-31,34-35,37-42H/t30-,31+,34+,35-/m1/s1
SMILES O=Cc1ccc(O)c(C2c3cc(O)cc4c3C(c3cc(O)cc(O)c3C2c2ccc(O)cc2)C(c2ccc(O)cc2)O4)c1
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 davidii
ReferenceSingh, B and Sharma, R. V., Secondary Metabolites of Medicinal Plants, Vol. 4, (2020), Wiley-VCH Verlag GmbH and Co. KGaA.