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 [C@@H]1([C@@H]([C@H](Oc2c1ccc(c2)O)c1cc(c(c(c1)O)O)O)O)c1c2O[C@@H]([C@@H](Cc2c(c(c1O)[C@H]1[C@@H]([C@H](Oc2c1ccc(c2)O)c1cc(c(c(c1)O)O)O)O)O)O)c1cc(c(c(c1)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeAcacia mearnsii Ref.
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