input word = C00008914

Metabolite InformationStructural formula
Name Catechin-(6'->8)-catechin-(4alpha->8)-catechin
Formula C45H38O18
Mw 866.20581441
CAS RN 52891-13-1
C_ID C00008914 ,
InChIKey SKKJVAJWPVLPPD-MNXNVWJCNA-N
InChICode InChI=1S/C45H38O18/c46-17-7-24(49)20-11-34(59)43(61-35(20)8-17)19-10-29(54)28(53)9-18(19)36-30(55)14-32(57)38-39(40(60)42(63-45(36)38)16-2-4-23(48)27(52)6-16)37-31(56)13-25(50)21-12-33(58)41(62-44(21)37)15-1-3-22(47)26(51)5-15/h1-10,13-14,33-34,39-43,46-60H,11-12H2/t33-,34-,39-,40-,41+,42-,43+/m0/s1
SMILES Oc1cc(O)c2c(c1)O[C@H](c1cc(O)c(O)cc1-c1c(O)cc(O)c3c1O[C@H](c1ccc(O)c(O)c1)[C@@H](O)[C@@H]3c1c(O)cc(O)c3c1O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C3)[C@@H](O)C2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRosaceaePotentilla erecta Ref.
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