EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:189893 - 2-{[hydroxy(2,3,4-trimethoxyphenyl)methylidene]amino}acetic acid

ChEBI IDCHEBI:189893
ChEBI Name2-{[hydroxy(2,3,4-trimethoxyphenyl)methylidene]amino}acetic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H15NO6
Net Charge0
Average Mass269.253
Monoisotopic Mass269.08994
SMILESCOc1ccc(C(=O)NCC(=O)O)c(OC)c1OC
InChIInChI=1S/C12H15NO6/c1-17-8-5-4-7(10(18-2)11(8)19-3)12(16)13-6-9(14)15/h4-5H,6H2,1-3H3,(H,13,16)(H,14,15)
InChIKeyWIGPKROUXMWBRT-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
marine plankton environmental sample (ncbitaxon:632957) endometabolome MetaboLights (MTBLS3038)
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(2,3,4-trimethoxyphenyl)methylidene]amino}acetic acid (CHEBI:189893) has functional parent N-benzoylglycine (CHEBI:18089)
2-{[hydroxy(2,3,4-trimethoxyphenyl)methylidene]amino}acetic acid (CHEBI:189893) is a N-acylglycine (CHEBI:16180)
IUPAC Name 
2-[(2,3,4-trimethoxybenzoyl)amino]acetic acid
Manual XrefsDatabases
HMDB0142117HMDB
22752703ChemSpider