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4-METHYLUMBELLIFERYL-BETA-D-GLUCURONIDE TRIHYDRATE
4-Methylumbelliferylb-D-glucuronidetrihydrate, MUG TRIHYDRATE, MUG, 4-MUG, MUG HYDRATE, 4-MUG 3H2O
CAS Number: 199329-67-4
IUPAC name: (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(4-methyl-2-oxochromen-7-yl)oxyoxane-2-carboxylic acid;trihydrate
Molecular formula: C16H22O12
Molecular weight: 406.33900
InChI: InChI=1S/C16H16O9.3H2O/c1-6-4-10(17)24-9-5-7(2-3-8(6)9)23-16-13(20)11(18)12(19)14(25-16)15(21)22;;;/h2-5,11-14,16,18-20H,1H3,(H,21,22);3*1H2/t11-,12-,13+,14-,16+;;;/m0.../s1
InChIKey: AVICSHUHPWFQAR-ACCVXZKWSA-N
SMILES: CC1=CC(=O)OC2=C1C=CC(=C2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O.O.O.O
EINECS: -
