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CHEBI:182331 - 2-acetamido-3-(4-methoxyphenyl)propanoic acid

ChEBI IDCHEBI:182331
ChEBI Name2-acetamido-3-(4-methoxyphenyl)propanoic acid
Stars
Last Modified5 November 2021
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H15NO4
Net Charge0
Average Mass237.255
Monoisotopic Mass237.10011
SMILESCOc1ccc(CC(NC(C)=O)C(=O)O)cc1
InChIInChI=1S/C12H15NO4/c1-8(14)13-11(12(15)16)7-9-3-5-10(17-2)6-4-9/h3-6,11H,7H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyHRUASHPCEMXOMR-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Bombus terrestris (ncbitaxon:30195)
hemolymph (BTO:0000572) MetaboLights (MTBLS3637)
hindgut (BTO:0000510) MetaboLights (MTBLS3637)
brain (BTO:0000142) MetaboLights (MTBLS3637)
ChEBI Ontology
Outgoing Relation(s)
2-acetamido-3-(4-methoxyphenyl)propanoic acid (CHEBI:182331) is a phenylalanine derivative (CHEBI:25985)
IUPAC Name 
2-acetamido-3-(4-methoxyphenyl)propanoic acid
Manual XrefsDatabases
2638945ChemSpider