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

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ChEBI Name 5-Isoxazoleacetic acid, 4,5-dihydro-3-(4-hydroxyphenyl)-, methyl ester
ChEBI ID CHEBI:230666
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C12H13NO4
Net Charge 0
Average Mass 235.239
Monoisotopic Mass 235.08446
InChI InChI=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
InChIKey AIXMJTYHQHQJLU-UHFFFAOYSA-N
SMILES O1N=C(CC1CC(OC)=O)C2=CC=C(O)C=C2
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). See: MetaboLights Study
ChEBI Ontology
Outgoing 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 Xrefs Databases
20482085 ChemSpider
HMDB0253597 HMDB
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