input word =
C00052490
Metabolite Information
Structural formula
Name
Vitisin A
(+)-Vitisin A
Formula
C56H42O12
Mw
906.26762681
CAS RN
142449-89-6
C_ID
C00052490
InChIKey
XAXVWWYPKOGXSY-DBHYGPPCSA-N
InChICode
InChI=1S/C56H42O12/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/h1-26,49-51,54-66H/b3-1+/t49-,50+,51+,54+,55-,56-/m1/s1
SMILES
Oc1ccc([C@H]2c3c(O)cc(O)cc3[C@H]3c4c(cc(O)cc4[C@@H]2c2cc(/C=C/c4cc(O)cc5c4[C@H](c4cc(O)cc(O)c4)[C@@H](c4ccc(O)cc4)O5)ccc2O)O[C@@H]3c2ccc(O)cc2)cc1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom
Family
Species
Reference
Plantae
Vitaceae
Vitis amurensis
Ref.
Plantae
Vitaceae
Vitis betulifolia
Ref.
Plantae
Vitaceae
Vitis chunganensis
Ref.
Plantae
Vitaceae
Vitis coignetiae
Ref.
Plantae
Vitaceae
Vitis heyneana
Ref.
Plantae
Vitaceae
Vitis rotundifolia
Ref.
Plantae
Vitaceae
Vitis thunbergii
Ref.
Plantae
Vitaceae
Vitis vinifera
Ref.
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