4-methylumbelliferone beta-D-glucuronide(1-)
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http://purl.obolibrary.org/obo/CHEBI_144582
A beta-D-glucosiduronate resulting from the deprotonation of the carboxy group of 4-methylumbelliferone beta-D-glucuronide. The major species at pH 7.3.
Term info
Label
4-methylumbelliferone beta-D-glucuronide(1-)
Synonyms
- 4-methyl-2-oxo-2H-chromen-7-yl beta-D-glucopyranosiduronate
Subsets
3_STAR
charge
-1
formula
C16H15O9
has obo namespace
chebi_ontology
has related synonym
4-methylumbelliferone beta-D-glucopyranosiduronate, 4-methylumbelliferone beta-D-glucuronate
id
CHEBI:144582
inchi
InChI=1S/C16H16O9/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)/p-1/t11-,12-,13+,14-,16+/m0/s1
inchikey
ARQXEQLMMNGFDU-JHZZJYKESA-M
mass
351.288
monoisotopicmass
351.07216
smiles
O([C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(=O)[O-])C2=CC3=C(C(=CC(O3)=O)C)C=C2