input word = C00036321

Metabolite InformationStructural formula
Name (+)-Vitisifuran A
Formula C56H40O12
Mw 904.25197674
CAS RN 223591-28-4
C_ID C00036321 ,
InChIKey OTYIKSOKCAQFIS-XLAQHMHFNA-N
InChICode InChI=1S/C56H40O12/c57-33-10-4-28(5-11-33)49-51(42-23-40(64)26-47-53(42)54(43-22-39(63)24-45(66)52(43)49)56(68-47)30-8-14-35(59)15-9-30)41-17-27(2-16-44(41)65)1-3-31-18-38(62)25-46-48(31)50(32-19-36(60)21-37(61)20-32)55(67-46)29-6-12-34(58)13-7-29/h1-26,49,51,54,56-66H/b3-1+/t49-,51-,54-,56+/m0/s1
SMILES c12c([C@H]([C@H](c3c4[C@H]1[C@H](Oc4cc(c3)O)c1ccc(cc1)O)c1c(ccc(c1)/C=C/c1c3c(cc(c1)O)oc(c3c1cc(cc(c1)O)O)c1ccc(cc1)O)O)c1ccc(cc1)O)c(cc(c2)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeVitaceaeVitis amurensis (Rupr.) Ref.
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OrganismVitis amurensis (Rupr.)
ReferenceHuang,Phytochem.,58,(2001),357