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CHEBI:218452 - (S)-4-isobutyl-3-oxo-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6-carbaldehyde

ChEBI IDCHEBI:218452
ChEBI Name(S)-4-isobutyl-3-oxo-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6-carbaldehyde
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H15NO3
Net Charge0
Average Mass221.256
Monoisotopic Mass221.10519
SMILESCC(C)C[C@H]1C(=O)OCc2ccc(C=O)n21
InChIInChI=1S/C12H15NO3/c1-8(2)5-11-12(15)16-7-10-4-3-9(6-14)13(10)11/h3-4,6,8,11H,5,7H2,1-2H3/t11-/m0/s1
InChIKeyJIDALDBSXBQUJI-NSHDSACASA-N
Species of MetaboliteComponentSourceComments
Micromonospora (ncbitaxon:1873) - PubMed (24451190)
ChEBI Ontology
Outgoing Relation(s)
(S)-4-isobutyl-3-oxo-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6-carbaldehyde (CHEBI:218452) is a α-amino acid ester (CHEBI:46874)
IUPAC Name 
(4S)-4-(2-methylpropyl)-3-oxo-1,4-dihydropyrrolo[2,1-c][1,4]oxazine-6-carbaldehyde
Manual XrefsDatabases
32674743ChemSpider