input word = C00009169

Metabolite InformationStructural formula
Name Robinetinidol-(4alpha->8)-gallocatechin
Formula C30H26O13
Mw 594.13734092
CAS RN 69127-10-2
C_ID C00009169 ,
InChIKey KQBOEJCDGYYZJZ-JGXQWVHBNA-N
InChICode InChI=1S/C30H26O13/c31-12-1-2-13-22(7-12)42-29(11-5-19(36)26(40)20(37)6-11)27(41)23(13)24-16(33)9-15(32)14-8-21(38)28(43-30(14)24)10-3-17(34)25(39)18(35)4-10/h1-7,9,21,23,27-29,31-41H,8H2/t21-,23-,27-,28+,29+/m0/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(c(c3)O)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,(1983),17

Cronje,J.Chem.Soc.Perkin Trans.,1,(1993),2467