input word = C00059134

Metabolite InformationStructural formula
Name 1-O-(3,5-Dimethoxy-4-hydroxyphenyl)-6-O-galloyl-beta-D-glucopyranoside
Formula C21H24O13
Mw 484.12169086
CAS RN 109194-57-2
C_ID C00059134
InChIKey PEDPLRRJVRRGHQ-FKRBRYKNSA-N
InChICode InChI=1S/C21H24O13/c1-30-12-5-9(6-13(31-2)16(12)25)33-21-19(28)18(27)17(26)14(34-21)7-32-20(29)8-3-10(22)15(24)11(23)4-8/h3-6,14,17-19,21-28H,7H2,1-2H3/t14-,17-,18+,19-,21-/m1/s1
SMILES COc1cc(OC2OC(COC(=O)c3cc(O)c(O)c(O)c3)C(O)C(O)C2O)cc(OC)c1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFagaceaeCastanea sativa Ref.
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