input word = C00009181

Metabolite InformationStructural formula
Name Robinetinidol-(4alpha->8)-[7,8-dihydro-8-(2,4-dihydroxyphenyl)-7-hydroxy-6-(3,4,5-trihydroxyphenyl)-6H-pyrano[2,3-f]catechin]
Formula C45H38O18
Mw 866.20581441
CAS RN 152675-37-1
C_ID C00009181 ,
InChIKey NCGZMTZZXZBFMM-CKNCZNCMNA-N
InChICode InChI=1S/C45H38O18/c46-18-2-4-20(24(49)12-18)32-34-38(58)35(33-21-5-3-19(47)13-31(21)61-42(40(33)60)16-8-26(51)36(56)27(52)9-16)44-22(14-30(55)41(62-44)15-1-6-23(48)25(50)7-15)45(34)63-43(39(32)59)17-10-28(53)37(57)29(54)11-17/h1-13,30,32-33,39-43,46-60H,14H2/t30-,32-,33-,39-,40-,41-,42+,43+/m0/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](Cc2c2c(c1O)[C@@H]([C@@H]([C@H](O2)c1cc(c(c(c1)O)O)O)O)c1ccc(cc1O)O)O)c1cc(c(cc1)O)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

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