input word = C00009273

Metabolite InformationStructural formula
Name Epiafzelechin-(4beta->8)-epicatechin-(2beta->7,4beta->8)-epicatechin-(4beta->8)-epicatechin
Formula C60H48O23
Mw 1136.25863784
CAS RN 130942-27-7
C_ID C00009273 ,
InChIKey YLGXVZYJQMQMAZ-JXRBOVPWNA-N
InChICode InChI=1S/C60H48O23/c61-24-6-1-20(2-7-24)54-51(76)48(42-34(70)14-25(62)15-40(42)79-54)45-36(72)18-37(73)46-50-47-41(82-60(59(50)78,83-58(45)46)23-5-10-29(65)33(69)13-23)19-38(74)44-49(52(77)55(81-57(44)47)22-4-9-28(64)32(68)12-22)43-35(71)17-30(66)26-16-39(75)53(80-56(26)43)21-3-8-27(63)31(67)11-21/h1-15,17-19,39,48-55,59,61-78H,16H2/t39-,48-,49+,50+,51+,52+,53-,54+,55+,59+,60+/m0/s1
SMILES Oc1ccc([C@H]2Oc3cc(O)cc(O)c3C(c3c(O)cc(O)c4c3O[C@@]3(c5ccc(O)c(O)c5)Oc5cc(O)c6c(c5[C@@H]4[C@H]3O)O[C@H](c3ccc(O)c(O)c3)[C@H](O)[C@H]6c3c(O)cc(O)c4c3O[C@H](c3ccc(O)c(O)c3)[C@H](O)C4)[C@H]2O)cc1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeGleicheniaceaeDicranopteris pedata Ref.
zoom in



OrganismDicranopteris pedata
ReferenceHarborne, The Handbook of Natural Flavonoids, 2, (1999), 355,Flavans and proanthocyanidins

Kashiwada,Chem.Pharm.Bull.,38,(1990),856