input word = C00051650

Metabolite InformationStructural formula
Name Mucic acid 1,4-lactone 3,5-di-O-gallate
Formula C20H16O15
Mw 496.04891984
CAS RN 348082-83-7
C_ID C00051650
InChIKey RZKAOCXAYSHXGC-BTHKEWNWNA-N
InChICode InChI=1S/C20H16O15/c21-7-2-1-6(10(24)12(7)26)19(31)35-16(17(28)29)15-14(13(27)20(32)34-15)33-18(30)5-3-8(22)11(25)9(23)4-5/h1-4,13-16,21-27H,(H,28,29)/t13-,14-,15-,16+/m1/s1
SMILES O=CO[C@@H](OC(=O)c1ccc(O)c(O)c1O)[C@@H]1OC(=O)[C@H](O)[C@H]1OC(=O)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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