input word = C00009172

Metabolite InformationStructural formula
Name Robinetinidol-(4alpha->8)-gallocatechin-(6->4alpha)-robinetinidol
Formula C45H38O19
Mw 882.20072904
CAS RN 85820-30-0
C_ID C00009172 ,
InChIKey CRJLMEPRXLPJBI-KTLPOVKINA-N
InChICode InChI=1S/C45H38O19/c46-17-1-3-19-29(11-17)62-43(15-7-24(50)37(57)25(51)8-15)40(60)31(19)33-35(55)21-13-28(54)42(14-5-22(48)36(56)23(49)6-14)64-45(21)34(39(33)59)32-20-4-2-18(47)12-30(20)63-44(41(32)61)16-9-26(52)38(58)27(53)10-16/h1-12,28,31-32,40-44,46-61H,13H2/t28-,31+,32+,40+,41+,42-,43-,44-/m1/s1
SMILES Oc1ccc2c(c1)O[C@H](c1cc(O)c(O)c(O)c1)[C@@H](O)[C@@H]2c1c(O)c2c(c([C@@H]3c4ccc(O)cc4O[C@H](c4cc(O)c(O)c(O)c4)[C@H]3O)c1O)OC(c1cc(O)c(O)c(O)c1)[C@@H](O)C2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeAcacia mearnsii Ref.
zoom in



OrganismAcacia mearnsii
ReferenceHarborne, The Handbook of Natural Flavonoids, 2, (1999), 355,Flavans and proanthocyanidins

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