input word = C00053480

Metabolite InformationStructural formula
Name Methyl digallate ester
Formula C15H12O9
Mw 336.04813198
CAS RN 13456-57-0
C_ID C00053480
InChIKey XMWQFDURKXLKMP-UHFFFAOYSA-N
InChICode InChI=1S/C15H12O9/c1-23-14(21)7-4-10(18)13(20)11(5-7)24-15(22)6-2-8(16)12(19)9(17)3-6/h2-5,16-20H,1H3
SMILES COC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAnacardiaceaeMangifera indica Ref.
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