input word = C00009327

Metabolite InformationStructural formula
Name Guibourtinidol-(4alpha->2)-3,5,4'-trihydroxystilbene-(6->4beta)-epiguibourtinidol
Formula C44H36O11
Mw 740.22576199
CAS RN
C_ID C00009327 ,
InChIKey ILWJJFPYZBBSBJ-UOCOIBOINA-N
InChICode InChI=1S/C44H36O11/c45-25-8-1-22(2-9-25)3-16-32-37(39-30-17-14-28(48)19-35(30)54-43(41(39)52)23-4-10-26(46)11-5-23)33(50)21-34(51)38(32)40-31-18-15-29(49)20-36(31)55-44(42(40)53)24-6-12-27(47)13-7-24/h1-21,39-53H/b16-3+/t39-,40+,41-,42+,43-,44-/m1/s1
SMILES Oc1ccc2c(c1)O[C@@H]([C@@H]([C@H]2c1c(c(c(cc1O)O)[C@H]1[C@@H]([C@H](Oc2c1ccc(c2)O)c1ccc(cc1)O)O)/C=C/c1ccc(cc1)O)O)c1ccc(cc1)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeGuibourtia coleosperma Ref.
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OrganismGuibourtia coleosperma
ReferenceHarborne, The Handbook of Natural Flavonoids, 2, (1999), 355,Flavans and proanthocyanidins

Steynberg,J.Chem.Soc.Perkin Trans.,1,(1987),1705