input word = C00009225

Metabolite InformationStructural formula
Name Epicatechin-(4beta->8)-3-O-galloylepicatechin-(4beta->8)-catechin
Formula C52H42O22
Mw 1018.21677303
CAS RN 134958-50-2
C_ID C00009225 ,
InChIKey XLGRDEOFHNGKLV-WDXUCASQNA-N
InChICode InChI=1S/C52H42O22/c53-21-12-30(61)38-37(13-21)71-47(18-2-5-24(55)28(59)8-18)45(69)42(38)39-32(63)16-33(64)41-43(40-31(62)15-26(57)22-14-36(67)46(72-49(22)40)17-1-4-23(54)27(58)7-17)51(74-52(70)20-10-34(65)44(68)35(66)11-20)48(73-50(39)41)19-3-6-25(56)29(60)9-19/h1-13,15-16,36,42-43,45-48,51,53-69H,14H2/t36-,42+,43+,45+,46-,47+,48+,51+/m0/s1
SMILES c1c(c2c(cc1O)O[C@@H]([C@@H]([C@H]2c1c(cc(c2c1O[C@@H]([C@@H]([C@@H]2c1c2c(c(cc1O)O)C[C@@H]([C@@H](O2)c1cc(c(cc1)O)O)O)OC(=O)c1cc(c(c(c1)O)O)O)c1ccc(c(c1)O)O)O)O)O)c1ccc(c(c1)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeVitaceaeVitis vinifera Ref.
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