input word = C00064238

Metabolite InformationStructural formula
Name Amurensin D
Formula C42H30O9
Mw 678.18898256
CAS RN 265652-97-9
C_ID C00064238
InChIKey DXQABIMCAGCMLB-KLCMGBMYSA-N
InChICode InChI=1S/C42H30O9/c43-27-8-1-22(2-9-27)3-14-34-39-35(51-42(26-17-32(48)20-33(49)18-26)37(39)23-4-10-28(44)11-5-23)21-36-40(34)38(25-15-30(46)19-31(47)16-25)41(50-36)24-6-12-29(45)13-7-24/h1-21,38,41,43-49H/b14-3+/t38-,41+/m0/s1
SMILES Oc1ccc(C=Cc2c3c(cc4oc(-c5cc(O)cc(O)c5)c(-c5ccc(O)cc5)c24)OC(c2ccc(O)cc2)C3c2cc(O)cc(O)c2)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.