input word = C00009165

Metabolite InformationStructural formula
Name Fisetinidol-(4alpha->8)-[7,8-dihydro-8-(2,4-dihydroxyphenyl)-7-hydroxy-6-(4-hydroxyphenyl)-6H-pyrano[2,3-f]catechin]
Formula C45H38O15
Mw 818.22107055
CAS RN 127612-71-9
C_ID C00009165 ,
InChIKey YYOJDFKNXXCNIK-QMJPXRGHNA-N
InChICode InChI=1S/C45H38O15/c46-21-5-1-18(2-6-21)42-39(56)34(24-9-7-22(47)15-29(24)51)36-38(55)37(44-26(45(36)60-42)17-32(54)41(59-44)19-3-11-27(49)30(52)13-19)35-25-10-8-23(48)16-33(25)58-43(40(35)57)20-4-12-28(50)31(53)14-20/h1-16,32,34-35,39-43,46-57H,17H2/t32-,34+,35+,39+,40+,41-,42-,43-/m1/s1
SMILES Oc1ccc([C@H]2Oc3c4c(c([C@@H]5c6ccc(O)cc6O[C@H](c6ccc(O)c(O)c6)[C@H]5O)c(O)c3[C@H](c3ccc(O)cc3O)[C@@H]2O)OC(c2ccc(O)c(O)c2)[C@@H](O)C4)cc1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeColophospermum mopane Ref.
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OrganismColophospermum mopane
ReferenceHarborne, The Handbook of Natural Flavonoids, 2, (1999), 355,Flavans and proanthocyanidins

Steynberg,J.Chem.Soc.Perkin Trans.,1,(1990),235