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CHEBI:168794 - 2-{[hydroxy(2,3,4,5-tetrahydroxyphenyl)methylidene]amino}acetic acid

ChEBI IDCHEBI:168794
ChEBI Name2-{[hydroxy(2,3,4,5-tetrahydroxyphenyl)methylidene]amino}acetic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC9H9NO7
Net Charge0
Average Mass243.171
Monoisotopic Mass243.03790
SMILESO=C(O)CNC(=O)c1cc(O)c(O)c(O)c1O
InChIInChI=1S/C9H9NO7/c11-4-1-3(6(14)8(16)7(4)15)9(17)10-2-5(12)13/h1,11,14-16H,2H2,(H,10,17)(H,12,13)
InChIKeyCEGXMLMKPLWUDD-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
Roles Classification
Biological Roles:
Escherichia coli metabolite  Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
ChEBI Ontology
Outgoing Relation(s)
2-{[hydroxy(2,3,4,5-tetrahydroxyphenyl)methylidene]amino}acetic acid (CHEBI:168794) is a ubiquinol (CHEBI:17976)
IUPAC Name 
2-[(2,3,4,5-tetrahydroxybenzoyl)amino]acetic acid
Manual XrefsDatabases
74851961ChemSpider
HMDB0126648HMDB