input word = C00064237

Metabolite InformationStructural formula
Name Amurensin C
Formula C42H30O9
Mw 678.18898256
CAS RN 265652-96-8
C_ID C00064237
InChIKey ACOXDKFRPTWIFQ-JGDZLKJZSA-N
InChICode InChI=1S/C42H30O9/c43-27-8-1-22(2-9-27)3-14-34-39-35(50-41(23-4-10-28(44)11-5-23)37(39)25-15-30(46)19-31(47)16-25)21-36-40(34)38(26-17-32(48)20-33(49)18-26)42(51-36)24-6-12-29(45)13-7-24/h1-21,37,41,43-49H/b14-3+/t37-,41-/m1/s1
SMILES Oc1ccc(C=Cc2c3c(cc4oc(-c5ccc(O)cc5)c(-c5cc(O)cc(O)c5)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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