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CHEBI:172449 - Agrocybenine

ChEBI IDCHEBI:172449
ChEBI NameAgrocybenine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H18N2O
Net Charge0
Average Mass206.289
Monoisotopic Mass206.14191
SMILESCC1=C2NC(C)(C)CC2=NC(C)(C)C1=O
InChIInChI=1S/C12H18N2O/c1-7-9-8(6-11(2,3)14-9)13-12(4,5)10(7)15/h14H,6H2,1-5H3
InChIKeyOTBGQBSPIWKINO-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2633)
ChEBI Ontology
Outgoing Relation(s)
Agrocybenine (CHEBI:172449) is a pyrrolopyridine (CHEBI:46771)
IUPAC Name 
2,2,5,5,7-pentamethyl-1,3-dihydropyrrolo[3,2-b]pyridin-6-one
Manual XrefsDatabases
HMDB0041445HMDB
10446240ChemSpider