9-Methyluric acid

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Systematic / IUPAC Name: 9-Methyl-7,9-dihydro-1H-purine-2,6,8(3H)-trione

ID: Reference279

Other Names: 9-Methyl-2,6,8-trihydroxypurine;
7,9-Dihydro-9-methyl-1H-purine-2,6,8(3H)-trione;
9-Methyl-2,3,6,7,8,9-hexahydro-1H-purine-2,6,8-trione

Formula: C6H6N4O3

Class: Endogenous Metabolites

Spectral Data

9-Methyluric acid 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 241
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods ESI
Analyzers FT
Last Modification 12/8/2014 9:19:13 AM
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Identificators

InChI InChI=1S/C6H6N4O3/c1-10-3-2(7-6(10)13)4(11)9-5(12)8-3/h1H3,(H,7,13)(H2,8,9,11,12)
InChI Key XJEJWDFDVPDMAS-UHFFFAOYSA-N
Canonical SMILES CN1C2=C(C(=O)NC(=O)N2)NC1=O
CAS 55441719
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Other Names 9-Methyl-2,6,8-trihydroxypurine;
7,9-Dihydro-9-methyl-1H-purine-2,6,8(3H)-trione;
9-Methyl-2,3,6,7,8,9-hexahydro-1H-purine-2,6,8-trione

In Other Databases

ChemSpider 97755
PubChem 108714
ChEMBL CHEMBL34921
ChemIDPlus 055441719
HMDb HMDB01973