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4-methylumbelliferone beta-D-glucuronide

Go to external page http://purl.obolibrary.org/obo/CHEBI_1904

A beta-D-glucosiduronic acid having a 4-methylumbelliferyl substituent at the anomeric position. A hyaluronan synthesis inhibitor, it is anti-tumourigenic for various malignant tumours.

Term info

Label

4-methylumbelliferone beta-D-glucuronide

Synonyms
  • 4-methyl-2-oxo-2H-1-benzopyran-7-yl beta-D-glucopyranosiduronic acid
database cross reference
Subsets

3_STAR

IUPAC NAME
4-methyl-2-oxo-2H-1-benzopyran-7-yl beta-D-glucopyranosiduronic acid [ IUPAC ]

charge

0

formula

C16H16O9

has obo namespace

chebi_ontology

has related synonym

4-Methylumbelliferone glucuronide, 4-MUG, 4-Methylumbelliferyl beta-glucuronide, 4-Methylumbelliferyl glucuronide

id

CHEBI:1904

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)/t11-,12-,13+,14-,16+/m0/s1

inchikey

ARQXEQLMMNGFDU-JHZZJYKESA-N

mass

352.293

monoisotopicmass

352.07943

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