4-Methylumbelliferyl glucuronide

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Systematic / IUPAC Name: 4-Methyl-2-oxo-2H-chromen-7-yl β-D-glucopyranosiduronic acid

ID: Reference840

Other Names: 4-Methylumbelliferyl β-glucuronide;
4-Methyl-2-oxo-2H-1-benzopyran-7-yl β-D-glucopyranosiduronic acid;
β-D-Glucopyranosiduronic acid, 4-methyl-2-oxo-2H-1-benzopyran-7-yl;
(2S,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-(4-methyl-2-oxochromen-7-yl)oxyoxane-2-carboxylic acid

Formula: C16H16O9

Class: Endogenous Metabolites

Spectral Data

4-Methylumbelliferyl glucuronide mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap Elite
No. of Spectral Trees 2
No. of Spectra 520
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods ESI
Analyzers FT
Last Modification 3/16/2015 1:32:37 PM
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Identificators

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
InChI Key ARQXEQLMMNGFDU-JHZZJYKESA-N
Canonical SMILES CC1=CC(=O)OC2=C1C=CC(=C2)OC3C(C(C(C(O3)C(=O)O)O)O)O
CAS 6160801
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Other Names 4-Methylumbelliferyl β-glucuronide;
4-Methyl-2-oxo-2H-1-benzopyran-7-yl β-D-glucopyranosiduronic acid;
β-D-Glucopyranosiduronic acid, 4-methyl-2-oxo-2H-1-benzopyran-7-yl;
(2S,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-(4-methyl-2-oxochromen-7-yl)oxyoxane-2-carboxylic acid

In Other Databases

PubChem 91553
ChemSpider 2915865
KEGG C11584
ChemIDPlus 006160801
ChEMBL CHEMBL1592343