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 O=C(O[C@@H]1[C@@H](c2c(O)cc(O)c3c2O[C@@H](c2ccc(O)c(O)c2)[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H]3c2c(O)cc(O)c3c2O[C@@H](c2ccc(O)c(O)c2)[C@@H](O)C3)c2c(O)cc(O)cc2O[C@@H]1c1ccc(O)c(O)c1)c1cc(O)c(O)c(O)c1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMalpighiaceaeByrsonima crassifolia Ref.
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