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CHEBI:168859 - 2-{[(3,5-dimethoxyphenyl)(hydroxy)methylidene]amino}acetic acid

ChEBI IDCHEBI:168859
ChEBI Name2-{[(3,5-dimethoxyphenyl)(hydroxy)methylidene]amino}acetic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC11H13NO5
Net Charge0
Average Mass239.227
Monoisotopic Mass239.07937
SMILESCOc1cc(OC)cc(C(=O)NCC(=O)O)c1
InChIInChI=1S/C11H13NO5/c1-16-8-3-7(4-9(5-8)17-2)11(15)12-6-10(13)14/h3-5H,6H2,1-2H3,(H,12,15)(H,13,14)
InChIKeyUFBSPOIKQBQXCT-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-{[(3,5-dimethoxyphenyl)(hydroxy)methylidene]amino}acetic acid (CHEBI:168859) has functional parent N-benzoylglycine (CHEBI:18089)
2-{[(3,5-dimethoxyphenyl)(hydroxy)methylidene]amino}acetic acid (CHEBI:168859) is a N-acylglycine (CHEBI:16180)
IUPAC Name 
2-[(3,5-dimethoxybenzoyl)amino]acetic acid
Manual XrefsDatabases
HMDB0131468HMDB
1781075ChemSpider