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CHEBI:144582 - 4-methylumbelliferone β-D-glucuronide(1−)

ChEBI IDCHEBI:144582
ChEBI Name4-methylumbelliferone β-D-glucuronide(1−)
Stars
ASCII Name4-methylumbelliferone beta-D-glucuronide(1-)
DefinitionA beta-D-glucosiduronate resulting from the deprotonation of the carboxy group of 4-methylumbelliferone beta-D-glucuronide. The major species at pH 7.3.
Last Modified1 November 2019
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC16H15O9
Net Charge-1
Average Mass351.287
Monoisotopic Mass351.07216
SMILESCc1cc(=O)oc2cc(O[C@@H]3O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]3O)ccc12
InChIInChI=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
InChIKeyARQXEQLMMNGFDU-JHZZJYKESA-M
ChEBI Ontology
Outgoing Relation(s)
4-methylumbelliferone β-D-glucuronide(1−) (CHEBI:144582) is a monocarboxylic acid anion (CHEBI:35757)
4-methylumbelliferone β-D-glucuronide(1−) (CHEBI:144582) is a β-D-glucosiduronate (CHEBI:83411)
4-methylumbelliferone β-D-glucuronide(1−) (CHEBI:144582) is conjugate base of 4-methylumbelliferone β-D-glucuronide (CHEBI:1904)
Incoming Relation(s)
4-methylumbelliferone β-D-glucuronide (CHEBI:1904) is conjugate acid of 4-methylumbelliferone β-D-glucuronide(1−) (CHEBI:144582)
IUPAC Name 
4-methyl-2-oxo-2H-chromen-7-yl β-D-glucopyranosiduronate
Synonym  Source
4-methylumbelliferone β-D-glucopyranosiduronateChEBI
UniProt Name  Source
4-methylumbelliferone β-D-glucuronateUniProt