input word = C00009228

Metabolite InformationStructural formula
Name Epicatechin-(4beta->8)-3-O-galloylepicatechin-(4beta->8)-epicatechin-3-O-gallate
Formula C59H46O26
Mw 1170.22773165
CAS RN 106533-61-3
C_ID C00009228 ,
InChIKey CSQVLCNLSUIXDX-JPZWCAATNA-N
InChICode InChI=1S/C59H46O26/c60-24-14-33(68)43-41(15-24)81-53(20-2-5-27(62)31(66)8-20)51(78)47(43)44-35(70)18-36(71)46-48(57(85-59(80)23-12-39(74)50(77)40(75)13-23)54(84-56(44)46)21-3-6-28(63)32(67)9-21)45-34(69)17-29(64)25-16-42(82-58(79)22-10-37(72)49(76)38(73)11-22)52(83-55(25)45)19-1-4-26(61)30(65)7-19/h1-15,17-18,42,47-48,51-54,57,60-78H,16H2/t42-,47-,48-,51-,52-,53-,54-,57-/m1/s1
SMILES c1c(c2c(cc1O)O[C@@H]([C@@H]([C@H]2c1c(cc(c2c1O[C@@H]([C@@H]([C@@H]2c1c2c(c(cc1O)O)C[C@H]([C@H](O2)c1ccc(c(c1)O)O)OC(=O)c1cc(c(c(c1)O)O)O)OC(=O)c1cc(c(c(c1)O)O)O)c1ccc(c(c1)O)O)O)O)O)c1ccc(c(c1)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePolygonaceaeRheum sp. Ref.
PlantaeVitaceaeVitis vinifera Ref.
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