input word = C00057952

Metabolite InformationStructural formula
Name r-Viniferin
Formula C56H42O12
Mw 906.26762681
CAS RN 165883-77-2
C_ID C00057952
InChIKey OXEVUWYSRVSDHV-GHFGOPFASA-N
InChICode InChI=1S/C56H42O12/c57-35-12-6-29(7-13-35)54-50(33-19-38(60)23-39(61)20-33)49-32(18-42(64)26-46(49)67-54)5-4-28-2-1-3-45-48(28)53(56(66-45)31-10-16-37(59)17-11-31)44-25-43(65)27-47-52(44)51(34-21-40(62)24-41(63)22-34)55(68-47)30-8-14-36(58)15-9-30/h1-27,50-51,53-65H/b5-4+/t50-,51+,53-,54+,55-,56+/m0/s1
SMILES OC1=CC=C([C@@]2([H])OC(C=C(O)C=C3/C=C/C4=C([C@@](C5=C([C@@]([H])(C6=CC(O)=CC(O)=C6)[C@@](C7=CC=C(O)C=C7)([H])O8)C8=CC(O)=C5)([H])[C@@]([H])(C9=CC=C(O)C=C9)O%10)C%10=CC=C4)=C3[C@]2([H])C%11=CC(O)=CC(O)=C%11)C=C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeVitaceaeVitis vinifera Ref.
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