input word = C00009200

Metabolite InformationStructural formula
Name 3-O-alpha-L-Rhamnopyranosylcatechin-(4alpha->8)-catechin
Formula C36H36O16
Mw 724.20033511
CAS RN 109194-84-5
C_ID C00009200 ,
InChIKey LYCWMCPYUUBMCJ-NUEYQJHYNA-N
InChICode InChI=1S/C36H36O16/c1-12-29(46)30(47)31(48)36(49-12)52-35-28(26-22(43)8-15(37)9-25(26)50-33(35)14-3-5-18(39)21(42)7-14)27-23(44)11-19(40)16-10-24(45)32(51-34(16)27)13-2-4-17(38)20(41)6-13/h2-9,11-12,24,28-33,35-48H,10H2,1H3/t12-,24+,28+,29+,30-,31+,32+,33-,35+,36+/m1/s1
SMILES c12c(C[C@@H]([C@@H](O1)c1cc(c(cc1)O)O)O)c(cc(c2[C@@H]1c2c(O[C@@H]([C@H]1O[C@@H]1O[C@@H]([C@@H]([C@H]([C@@H]1O)O)O)C)c1ccc(c(c1)O)O)cc(cc2O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeErythroxylaceaeErythroxylum novogranatense Ref.
PlantaeFagaceaeQuercus miyagii Ref.
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