input word = C00009154

Metabolite InformationStructural formula
Name Fisetinidol-(4beta->6)-fisetinidol-(4alpha->6)-fisetinidol-4alpha-ol
Formula C45H38O16
Mw 834.21598517
CAS RN 81557-53-1
C_ID C00009154 ,
InChIKey XMDMDCDOLAPMTE-MNZAWJPTNA-N
InChICode InChI=1S/C45H38O16/c46-20-4-5-21-34(12-20)59-43(17-1-6-26(47)31(52)9-17)40(56)37(21)22-13-24-35(15-29(22)50)60-44(18-2-7-27(48)32(53)10-18)41(57)38(24)23-14-25-36(16-30(23)51)61-45(42(58)39(25)55)19-3-8-28(49)33(54)11-19/h1-16,37-58H/t37-,38-,39-,40+,41+,42+,43-,44-,45-/m1/s1
SMILES c1(cc2c(cc1[C@H]1[C@@H]([C@H](Oc3c1cc(c(c3)O)[C@@H]1[C@@H]([C@H](Oc3c1ccc(c3)O)c1ccc(c(c1)O)O)O)c1ccc(c(c1)O)O)O)[C@H]([C@@H]([C@H](O2)c1ccc(c(c1)O)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeAcacia mearnsii Ref.
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OrganismAcacia mearnsii
ReferenceHarborne, The Handbook of Natural Flavonoids, 2, (1999), 355,Flavans and proanthocyanidins

Viviers,J.Chem.Soc.Perkin Trans.,1,(1982),535