input word = C00009302

Metabolite InformationStructural formula
Name Epicatechin-(2beta->7,4beta->8)-epicatechin-(4beta->8)-epicatechin-(4beta->6)-catechin
Formula C60H48O24
Mw 1152.25355247
CAS RN 114637-80-8
C_ID C00009302 ,
InChIKey MXENSMNZEQDMKS-DCYOUKBBNA-N
InChICode InChI=1S/C60H48O24/c61-23-13-33(70)42-40(14-23)83-60(22-4-8-28(65)32(69)12-22)59(79)50(42)47-41(84-60)18-37(74)46-49(53(78)56(82-58(46)47)21-3-7-27(64)31(68)11-21)45-35(72)16-34(71)44-48(52(77)55(81-57(44)45)20-2-6-26(63)30(67)10-20)43-36(73)17-39-24(51(43)76)15-38(75)54(80-39)19-1-5-25(62)29(66)9-19/h1-14,16-18,38,48-50,52-56,59,61-79H,15H2/t38-,48-,49-,50+,52+,53+,54-,55+,56+,59+,60-/m0/s1
SMILES c1c(cc(c2c1O[C@@]1([C@@H]([C@H]2c2c(O1)cc(c1c2O[C@@H]([C@@H]([C@H]1c1c(cc(c2c1O[C@@H]([C@@H]([C@H]2c1c(c2c(cc1O)O[C@H]([C@H](C2)O)c1ccc(c(c1)O)O)O)O)c1cc(c(cc1)O)O)O)O)O)c1cc(c(cc1)O)O)O)O)c1ccc(c(c1)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEricaceaeVaccinium vitis-idaea Ref.
zoom in