input word = C00009105

Metabolite InformationStructural formula
Name [Epicatechin-(4beta->8)]2-epicatechin-(4beta->6)-catechin
Formula C60H50O24
Mw 1154.26920253
CAS RN 79763-27-2
C_ID C00009105 ,
InChIKey ZMGNAOWZFDMIOC-JGTULXDJNA-N
InChICode InChI=1S/C60H50O24/c61-23-13-33(70)42-41(14-23)82-56(20-2-6-26(63)30(67)10-20)52(78)48(42)44-34(71)16-36(73)46-50(54(80)58(84-59(44)46)22-4-8-28(65)32(69)12-22)47-37(74)17-35(72)45-49(53(79)57(83-60(45)47)21-3-7-27(64)31(68)11-21)43-38(75)18-40-24(51(43)77)15-39(76)55(81-40)19-1-5-25(62)29(66)9-19/h1-14,16-18,39,48-50,52-58,61-80H,15H2/t39-,48-,49+,50+,52-,53-,54-,55-,56-,57-,58-/m1/s1
SMILES c1(cc(c2c(c1)O[C@@H]([C@@H]([C@H]2c1c(cc(c2c1O[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)c1cc(c(cc1)O)O)O)O)O)c1cc(c(cc1)O)O)O)O)O)c1cc(c(cc1)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePalmaeAreca catechu Ref.
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