input word = C00064143

Metabolite InformationStructural formula
Name Vitisin D
Formula C56H42O12
Mw 906.26762681
CAS RN 206192-29-2
C_ID C00064143
InChIKey ZQBVBHZZCBMXJF-ZZDBXXJHSA-N
InChICode InChI=1S/C56H42O12/c57-30-8-1-25(2-9-30)48-50(40-20-36(63)24-46-52(40)54(41-19-35(62)22-44(66)51(41)48)56(68-46)27-5-12-32(59)13-6-27)38-16-28(7-14-42(38)64)37-17-29-15-33(60)23-45-47(29)53(39-18-34(61)21-43(65)49(37)39)55(67-45)26-3-10-31(58)11-4-26/h1-16,18-24,37,48,50,53-66H,17H2/t37-,48+,50-,53-,54-,55+,56+/m0/s1
SMILES Oc1ccc(C2Oc3cc(O)cc4c3C2c2cc(O)cc(O)c2C(c2ccc(O)c(C3c5cc(O)cc6c5C(c5cc(O)cc(O)c5C3c3ccc(O)cc3)C(c3ccc(O)cc3)O6)c2)C4)cc1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeVitaceaeVitis coignetiae Ref.
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