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CHEBI:188176 - 3,5-Pyridinedicarboxylic acid, 2-(hydroxymethyl)-6-methyl-4-(2-nitrophenyl)-, 5-methyl ester

ChEBI IDCHEBI:188176
ChEBI Name3,5-Pyridinedicarboxylic acid, 2-(hydroxymethyl)-6-methyl-4-(2-nitrophenyl)-, 5-methyl ester
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H14N2O7
Net Charge0
Average Mass346.295
Monoisotopic Mass346.08010
SMILESCOC(=O)c1c(C)nc(CO)c(C(=O)O)c1-c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C16H14N2O7/c1-8-12(16(22)25-2)13(14(15(20)21)10(7-19)17-8)9-5-3-4-6-11(9)18(23)24/h3-6,19H,7H2,1-2H3,(H,20,21)
InChIKeyARDQNVJJIRIJPD-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2224)
ChEBI Ontology
Outgoing Relation(s)
3,5-Pyridinedicarboxylic acid, 2-(hydroxymethyl)-6-methyl-4-(2-nitrophenyl)-, 5-methyl ester (CHEBI:188176) is a phenylpyridine (CHEBI:38193)
IUPAC Name 
2-(hydroxymethyl)-5-methoxycarbonyl-6-methyl-4-(2-nitrophenyl)pyridine-3-carboxylic acid
Manual XrefsDatabases
22547052ChemSpider
Registry NumbersSources
CAS:34783-31-8ChemIDplus