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CHEBI:228787 - 2-{2-[2,5-di(methoxycarbonyl)anilino]-2-oxoethoxy}acetic acid

ChEBI IDCHEBI:228787
ChEBI Name2-{2-[2,5-di(methoxycarbonyl)anilino]-2-oxoethoxy}acetic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H15NO8
Net Charge0
Average Mass325.273
Monoisotopic Mass325.07977
SMILESCOC(=O)c1ccc(C(=O)OC)c(NC(=O)COCC(=O)O)c1
InChIInChI=1S/C14H15NO8/c1-21-13(19)8-3-4-9(14(20)22-2)10(5-8)15-11(16)6-23-7-12(17)18/h3-5H,6-7H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyQSCUMDGEFTWAPV-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) urine (BTO:0001419) MetaboLights (MTBLS8662)
Roles Classification
Application:
endocrine disruptor  Any compound that can disrupt the functions of the endocrine (hormone) system
ChEBI Ontology
Outgoing Relation(s)
2-{2-[2,5-di(methoxycarbonyl)anilino]-2-oxoethoxy}acetic acid (CHEBI:228787) is a phthalate ester (CHEBI:35484)
IUPAC Name 
2-[2-[2,5-bis(methoxycarbonyl)anilino]-2-oxoethoxy]acetic acid
Manual XrefsDatabases
2014674ChemSpider