input word = C00064144

Metabolite InformationStructural formula
Name Vitisin E
Formula C42H32O9
Mw 680.20463262
CAS RN 206192-30-5
C_ID C00064144
InChIKey QQNBEPHPNWRMLN-DAIFJYFISA-N
InChICode InChI=1S/C42H32O9/c43-24-8-1-20(2-9-24)28-18-30-38-34(50-41(21-3-10-25(44)11-4-21)36(38)23-7-14-31(47)32(48)15-23)19-35-39(30)40(29-16-27(46)17-33(49)37(28)29)42(51-35)22-5-12-26(45)13-6-22/h1-17,19,28,36,40-49H,18H2/t28-,36+,40-,41-,42+/m0/s1
SMILES Oc1ccc(C2Cc3c4c(cc5c3C(c3cc(O)cc(O)c32)C(c2ccc(O)cc2)O5)OC(c2ccc(O)cc2)C4c2ccc(O)c(O)c2)cc1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeVitaceaeVitis coignetiae Ref.
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