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CHEBI:230666 - 5-Isoxazoleacetic acid, 4,5-dihydro-3-(4-hydroxyphenyl)-, methyl ester

ChEBI IDCHEBI:230666
ChEBI Name5-Isoxazoleacetic acid, 4,5-dihydro-3-(4-hydroxyphenyl)-, methyl ester
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H13NO4
Net Charge0
Average Mass235.239
Monoisotopic Mass235.08446
SMILESCOC(=O)CC1CC(c2ccc(O)cc2)=NO1
InChIInChI=1S/C12H13NO4/c1-16-12(15)7-10-6-11(13-17-10)8-2-4-9(14)5-3-8/h2-5,10,14H,6-7H2,1H3
InChIKeyAIXMJTYHQHQJLU-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
5-Isoxazoleacetic acid, 4,5-dihydro-3-(4-hydroxyphenyl)-, methyl ester (CHEBI:230666) is a phenols (CHEBI:33853)
IUPAC Name 
methyl 2-[3-(4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetate
Manual XrefsDatabases
20482085ChemSpider
HMDB0253597HMDB