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CHEBI:192630 - 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-4-oxobutanoic acid

ChEBI IDCHEBI:192630
ChEBI Name4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-4-oxobutanoic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H15NO5
Net Charge0
Average Mass265.265
Monoisotopic Mass265.09502
SMILESO=C(O)CCC(=O)Nc1ccc2c(c1)OCCCO2
InChIInChI=1S/C13H15NO5/c15-12(4-5-13(16)17)14-9-2-3-10-11(8-9)19-7-1-6-18-10/h2-3,8H,1,4-7H2,(H,14,15)(H,16,17)
InChIKeyKZUHIEYBYXSCJE-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Valsa sordida (ncbitaxon:252740) Whole Organism (NCIT:C13413) MetaboLights (MTBLS4463)
ChEBI Ontology
Outgoing Relation(s)
4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-4-oxobutanoic acid (CHEBI:192630) is a aromatic ether (CHEBI:35618)
IUPAC Name 
4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-4-oxobutanoic acid
Manual XrefsDatabases
2087924ChemSpider