2-methyl-2,3,4,5-tetrahydro-1,5-benzoxazepin-4-one (CHEBI:183666)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	2-methyl-2,3,4,5-tetrahydro-1,5-benzoxazepin-4-one

ChEBI ID	CHEBI:183666

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C10H11NO2

Net Charge

Average Mass

177.203

Monoisotopic Mass

177.07898

InChI

InChI=1S/C10H11NO2/c1-7-6-10(12)11-8-4-2-3-5-9(8)13-7/h2-5,7H,6H2,1H3,(H,11,12)

InChIKey

ZPCZQESAHAVOLW-UHFFFAOYSA-N

SMILES

O1C(CC(=O)NC=2C1=CC=CC2)C

Metabolite of Species	Details
Bombus terrestris (NCBI:txid30195)	Found in hemolymph (BTO:0000572). See: MetaboLights Study
Bombus terrestris (NCBI:txid30195)	Found in brain (BTO:0000142). See: MetaboLights Study
Bombus terrestris (NCBI:txid30195)	Found in hindgut (BTO:0000510). See: MetaboLights Study

ChEBI Ontology
Outgoing	2-methyl-2,3,4,5-tetrahydro-1,5-benzoxazepin-4-one (CHEBI:183666) is a organonitrogen heterocyclic compound (CHEBI:38101) 2-methyl-2,3,4,5-tetrahydro-1,5-benzoxazepin-4-one (CHEBI:183666) is a oxacycle (CHEBI:38104)

IUPAC Name

2-methyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one