input word = C00008969

Metabolite InformationStructural formula
Name 8-C-Ascorbyl epigallocatechin 3-O-gallate
Formula C28H24O17
Mw 632.10134934
CAS RN 126715-87-5
C_ID C00008969 ,
InChIKey DKFWYWRZDCPNOB-PSUKTBKTNA-N
InChICode InChI=1S/C28H24O17/c29-7-16(35)24-28(41)27(40,26(39)44-24)19-17(45-28)6-11(30)10-5-18(42-25(38)9-3-14(33)21(37)15(34)4-9)22(43-23(10)19)8-1-12(31)20(36)13(32)2-8/h1-4,6,16,18,22,24,29-37,40-41H,5,7H2/t16-,18-,22-,24+,27-,28-/m0/s1
SMILES O=C(O[C@@H]1Cc2c(O)cc3c(c2O[C@@H]1c1cc(O)c(O)c(O)c1)C1(O)C(=O)O[C@H]([C@@H](O)CO)C1(O)O3)c1cc(O)c(O)c(O)c1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeTheaceaeCamellia sinensis var. viridis Ref.
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