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CHEBI:169106 - 2-{[hydroxy(2,4,6-trihydroxyphenyl)methylidene]amino}acetic acid

ChEBI IDCHEBI:169106
ChEBI Name2-{[hydroxy(2,4,6-trihydroxyphenyl)methylidene]amino}acetic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC9H9NO6
Net Charge0
Average Mass227.172
Monoisotopic Mass227.04299
SMILESO=C(O)CNC(=O)c1c(O)cc(O)cc1O
InChIInChI=1S/C9H9NO6/c11-4-1-5(12)8(6(13)2-4)9(16)10-3-7(14)15/h1-2,11-13H,3H2,(H,10,16)(H,14,15)
InChIKeyOTQANJGKIPCICL-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
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(2,4,6-trihydroxyphenyl)methylidene]amino}acetic acid (CHEBI:169106) has functional parent N-benzoylglycine (CHEBI:18089)
2-{[hydroxy(2,4,6-trihydroxyphenyl)methylidene]amino}acetic acid (CHEBI:169106) is a N-acylglycine (CHEBI:16180)
IUPAC Name 
2-[(2,4,6-trihydroxybenzoyl)amino]acetic acid
Manual XrefsDatabases
HMDB0125157HMDB
74851660ChemSpider