input word = C00009227

Metabolite InformationStructural formula
Name 3-O-Galloylepicatechin-(4beta->8)-3-O-galloyl-ent-epicatechin-(4alpha->8)-ent-epicatechin
Formula C59H46O26
Mw 1170.22773165
CAS RN 166020-12-8
C_ID C00009227 ,
InChIKey GLLSILGITKQFOY-VHUPRWNUNA-N
InChICode InChI=1S/C59H46O26/c60-24-14-33(68)43-42(15-24)81-52(20-2-5-27(62)31(66)8-20)56(84-58(79)22-10-37(72)49(77)38(73)11-22)47(43)45-35(70)18-36(71)46-48(44-34(69)17-29(64)25-16-41(76)51(82-54(25)44)19-1-4-26(61)30(65)7-19)57(85-59(80)23-12-39(74)50(78)40(75)13-23)53(83-55(45)46)21-3-6-28(63)32(67)9-21/h1-15,17-18,41,47-48,51-53,56-57,60-78H,16H2/t41-,47+,48-,51-,52+,53-,56+,57-/m0/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)c1cc(c(cc1)O)O)O)OC(=O)c1cc(c(c(c1)O)O)O)c1ccc(c(c1)O)O)O)O)OC(=O)c1cc(c(c(c1)O)O)O)c1ccc(c(c1)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMalpighiaceaeByrsonima crassifolia Ref.
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