CHEBI:202296 - methyl 4-(3,4-dihydroxybenzamido)butanoate

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name methyl 4-(3,4-dihydroxybenzamido)butanoate
ChEBI ID CHEBI:202296
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C12H15NO5
Net Charge 0
Average Mass 253.254
Monoisotopic Mass 253.09502
InChI InChI=1S/C12H15NO5/c1-18-11(16)3-2-6-13-12(17)8-4-5-9(14)10(15)7-8/h4-5,7,14-15H,2-3,6H2,1H3,(H,13,17)
InChIKey NCUSLXOBXZICBK-UHFFFAOYSA-N
SMILES O=C(NCCCC(=O)OC)C1=CC(O)=C(O)C=C1
Metabolite of Species Details
Aspergillus (NCBI:txid5052) See: DOI
ChEBI Ontology
Outgoing methyl 4-(3,4-dihydroxybenzamido)butanoate (CHEBI:202296) has functional parent γ-amino acid (CHEBI:33707)
methyl 4-(3,4-dihydroxybenzamido)butanoate (CHEBI:202296) is a organonitrogen compound (CHEBI:35352)
methyl 4-(3,4-dihydroxybenzamido)butanoate (CHEBI:202296) is a organooxygen compound (CHEBI:36963)
IUPAC Name
methyl 4-[(3,4-dihydroxybenzoyl)amino]butanoate
Manual Xref Database
71116062 ChemSpider
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