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CHEBI:169272 - 2-Acetyl-1,5,6,7-tetrahydro-6-hydroxy-7-(hydroxymethyl)-4H-azepine-4-one

ChEBI IDCHEBI:169272
ChEBI Name2-Acetyl-1,5,6,7-tetrahydro-6-hydroxy-7-(hydroxymethyl)-4H-azepine-4-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC9H13NO4
Net Charge0
Average Mass199.206
Monoisotopic Mass199.08446
SMILESCC(=O)C1=CC(=O)CC(O)C(CO)N1
InChIInChI=1S/C9H13NO4/c1-5(12)7-2-6(13)3-9(14)8(4-11)10-7/h2,8-11,14H,3-4H2,1H3
InChIKeyOISIGIMXBVOALX-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
2-Acetyl-1,5,6,7-tetrahydro-6-hydroxy-7-(hydroxymethyl)-4H-azepine-4-one (CHEBI:169272) is a azepine (CHEBI:48105)
IUPAC Name 
7-acetyl-3-hydroxy-2-(hydroxymethyl)-1,2,3,4-tetrahydroazepin-5-one
Manual XrefsDatabases
35013865ChemSpider
HMDB0035177HMDB