input word = C00009103

Metabolite InformationStructural formula
Name Epicatechin-(4beta->6)-epicatechin-(4beta->8)-epicatechin-(4beta->6)-epicatechin
Formula C60H50O24
Mw 1154.26920253
CAS RN 126671-46-3
C_ID C00009103 ,
InChIKey OZYBGUPTDWWHHF-JLEGQXMQNA-N
InChICode InChI=1S/C60H50O24/c61-23-13-33(70)42-40(14-23)82-57(20-2-6-26(63)30(67)10-20)53(78)48(42)44-37(74)18-41-47(52(44)77)50(55(80)58(83-41)21-3-7-27(64)31(68)11-21)46-35(72)16-34(71)45-49(54(79)59(84-60(45)46)22-4-8-28(65)32(69)12-22)43-36(73)17-39-24(51(43)76)15-38(75)56(81-39)19-1-5-25(62)29(66)9-19/h1-14,16-18,38,48-50,53-59,61-80H,15H2/t38-,48+,49+,50+,53-,54-,55+,56-,57-,58+,59-/m1/s1
SMILES c1(c(c(c2c(c1)O[C@H]([C@H]([C@H]2c1c(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)c1ccc(c(c1)O)O)O)O)O)c1ccc(c(c1)O)O)O)[C@@H]1c2c(cc(cc2O[C@@H]([C@@H]1O)c1ccc(c(c1)O)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeDavalliaceaeDavallia divaricata Ref.
PlantaeDavalliaceaeDavallia griffithiana Ref.
PlantaeDavalliaceaeDavallia mariesii Ref.
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OrganismDavallia mariesii
ReferenceHarborne, The Handbook of Natural Flavonoids, 2, (1999), 355,Flavans and proanthocyanidins

Hwang,Phytochem.,29,(1990),279

Cui,Chem.Pharm.Bull.,40,(1992),889