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.
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