input word = C00058017

Metabolite InformationStructural formula
Name m-Trigallic acid
Formula C21H14O13
Mw 474.04344054
CAS RN 2131-66-0
C_ID C00058017
InChIKey QUXNYZHQBWMPNX-UHFFFAOYSA-N
InChICode InChI=1S/C21H14O13/c22-10-2-8(3-11(23)16(10)26)20(31)34-15-6-9(4-13(25)18(15)28)21(32)33-14-5-7(19(29)30)1-12(24)17(14)27/h1-6,22-28H,(H,29,30)
SMILES O=C(O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)c1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAnacardiaceaeMangifera indica Ref.
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