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 c12cc(c3c(c1[C@]1([C@@](O2)([C@H](OC1=O)[C@H](CO)O)O)O)O[C@H]([C@H](C3)OC(=O)c1cc(c(c(c1)O)O)O)c1cc(c(c(c1)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeTheaceaeCamellia sinensis var. viridis Ref.
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