input word = C00060464

Metabolite InformationStructural formula
Name Mucic acid 2,5-di-O-gallate 1,4-lactone
Formula C20H16O15
Mw 496.04891984
CAS RN 1801869-63-5
C_ID C00060464
InChIKey BJRIQPHBHQNDMO-AEZOVKHSNA-N
InChICode InChI=1/C20H16O15/c21-7-1-5(2-8(22)11(7)25)18(30)34-15-13(27)14(33-20(15)32)16(17(28)29)35-19(31)6-3-9(23)12(26)10(24)4-6/h1-4,13-16,21-27H,(H,28,29)/t13-,14+,15+,16-/s2
SMILES O=C(OC1C(=O)OC(C(OC(=O)c2cc(O)c(O)c(O)c2)C(=O)O)C1O)c1cc(O)c(O)c(O)c1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePhyllanthaceaePhyllanthus emblica Ref.
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