CHEBI:190064 - 1H-1,2,4-Triazole-1-propanoic acid, 3-ethyl-4,5-dihydro-5-oxo-4-(2-phenoxyethyl)-

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ChEBI Name 1H-1,2,4-Triazole-1-propanoic acid, 3-ethyl-4,5-dihydro-5-oxo-4-(2-phenoxyethyl)-
ChEBI ID CHEBI:190064
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C15H19N3O4
Net Charge 0
Average Mass 305.334
Monoisotopic Mass 305.13756
InChI InChI=1S/C15H19N3O4/c1-2-13-16-18(9-8-14(19)20)15(21)17(13)10-11-22-12-6-4-3-5-7-12/h3-7H,2,8-11H2,1H3,(H,19,20)
InChIKey KXHGNCHQKIBXJO-UHFFFAOYSA-N
SMILES O(CCN1C(=NN(C1=O)CCC(O)=O)CC)C2=CC=CC=C2
Metabolite of Species Details
Brassica napus (NCBI:txid3708) Found in flower (BTO:0000469). See: MetaboLights Study
ChEBI Ontology
Outgoing 1H-1,2,4-Triazole-1-propanoic acid, 3-ethyl-4,5-dihydro-5-oxo-4-(2-phenoxyethyl)- (CHEBI:190064) is a aromatic ether (CHEBI:35618)
IUPAC Name
3-[3-ethyl-5-oxo-4-(2-phenoxyethyl)-1,2,4-triazol-1-yl]propanoic acid