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CHEBI:229908 - 2-{[hydroxy(1-oxo-1h-isochromen-3-yl)methylidene]amino}acetic acid

ChEBI IDCHEBI:229908
ChEBI Name2-{[hydroxy(1-oxo-1h-isochromen-3-yl)methylidene]amino}acetic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H9NO5
Net Charge0
Average Mass247.206
Monoisotopic Mass247.04807
SMILESO=C(O)CNC(=O)c1cc2ccccc2c(=O)o1
InChIInChI=1S/C12H9NO5/c14-10(15)6-13-11(16)9-5-7-3-1-2-4-8(7)12(17)18-9/h1-5H,6H2,(H,13,16)(H,14,15)
InChIKeyCXCSWOTTXDJERI-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) feces (BTO:0000440) MetaboLights (MTBLS9087)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
2-{[hydroxy(1-oxo-1h-isochromen-3-yl)methylidene]amino}acetic acid (CHEBI:229908) is a N-acyl-amino acid (CHEBI:51569)
IUPAC Name 
2-[(1-oxoisochromene-3-carbonyl)amino]acetic acid
Manual XrefsDatabases
74852284ChemSpider