input word = C00009167

Metabolite InformationStructural formula
Name Robinetinidol-(4alpha->8)-catechin
Formula C30H26O12
Mw 578.1424263
CAS RN 69127-09-9
C_ID C00009167 ,
InChIKey XTVOPCAOTUZWHN-KUBZWBMHNA-N
InChICode InChI=1S/C30H26O12/c31-13-2-3-14-23(8-13)41-29(12-6-20(36)26(39)21(37)7-12)27(40)24(14)25-19(35)10-17(33)15-9-22(38)28(42-30(15)25)11-1-4-16(32)18(34)5-11/h1-8,10,22,24,27-29,31-40H,9H2/t22-,24+,27+,28-,29-/m1/s1
SMILES c12c([C@H]([C@@H]([C@H](O1)c1cc(c(c(c1)O)O)O)O)c1c3c(C[C@H]([C@H](O3)c3cc(c(cc3)O)O)O)c(cc1O)O)ccc(c2)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

Botha,J.Chem.,Soc.Perkin Trans.,1,(1981),1235

Botha,J.Chem.Soc.Perkin Trans.,1,(1983),17