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 CC1O[C@@H](O[C@H]2[C@H](c3c(O)cc(O)c4c3O[C@H](c3ccc(O)c(O)c3)[C@@H](O)C4)c3c(O)cc(O)cc3O[C@@H]2c2ccc(O)c(O)c2)[C@@H](O)C(O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeErythroxylaceaeErythroxylum novogranatense Ref.
PlantaeFagaceaeQuercus miyagii Ref.
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