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CHEBI:218462 - (4S)-4-(2-methylbutyl)-3-oxo-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6-carbaldehyde

ChEBI IDCHEBI:218462
ChEBI Name(4S)-4-(2-methylbutyl)-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@H](C)[C@H]1C(=O)OCc2ccc(C=O)n21
InChIInChI=1S/C12H15NO3/c1-3-8(2)11-12(15)16-7-10-5-4-9(6-14)13(10)11/h4-6,8,11H,3,7H2,1-2H3/t8-,11-/m0/s1
InChIKeyDTQAIBGECRUYJX-KWQFWETISA-N
Species of MetaboliteComponentSourceComments
Micromonospora (ncbitaxon:1873) - PubMed (24451190)
ChEBI Ontology
Outgoing Relation(s)
(4S)-4-(2-methylbutyl)-3-oxo-3,4-dihydro-1H-pyrrolo[2,1-c][1,4]oxazine-6-carbaldehyde (CHEBI:218462) is a α-amino acid ester (CHEBI:46874)
IUPAC Name 
(4S)-4-[(2S)-butan-2-yl]-3-oxo-1,4-dihydropyrrolo[2,1-c][1,4]oxazine-6-carbaldehyde