input word = C00009261

Metabolite InformationStructural formula
Name ent-Epiafzelechin-(2alpha->7,4alpha->8)-catechin
Formula C30H24O11
Mw 560.13186161
CAS RN 135820-74-5
C_ID C00009261 ,
InChIKey MXKKFADFYXJREN-ZZUQXWFGNA-N
InChICode InChI=1S/C30H24O11/c31-14-4-2-13(3-5-14)30-29(38)26(24-20(36)8-15(32)9-22(24)40-30)25-23(41-30)11-18(34)16-10-21(37)27(39-28(16)25)12-1-6-17(33)19(35)7-12/h1-9,11,21,26-27,29,31-38H,10H2/t21-,26-,27-,29-,30+/m0/s1
SMILES Oc1ccc([C@@]23Oc4cc(O)cc(O)c4[C@@H](c4c(cc(O)c5c4O[C@H](c4ccc(O)c(O)c4)[C@@H](O)C5)O2)[C@@H]3O)cc1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRosaceaePrunus persica Ref.
PlantaeRosaceaePrunus spinosa Ref.
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