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CHEBI:197710 - Deoxyneo-beta-hydroxyaspergillic acid

ChEBI IDCHEBI:197710
ChEBI NameDeoxyneo-beta-hydroxyaspergillic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H20N2O2
Net Charge0
Average Mass224.304
Monoisotopic Mass224.15248
SMILESCC(C)Cc1ncc(CC(C)(C)O)nc1=O
InChIInChI=1S/C12H20N2O2/c1-8(2)5-10-11(15)14-9(7-13-10)6-12(3,4)16/h7-8,16H,5-6H2,1-4H3,(H,14,15)
InChIKeyLFPVONRFFDDQNC-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - DOI (10.1248/cpb.20.2274)
ChEBI Ontology
Outgoing Relation(s)
Deoxyneo-beta-hydroxyaspergillic acid (CHEBI:197710) is a pyrazines (CHEBI:38314)
IUPAC Name 
6-(2-hydroxy-2-methylpropyl)-3-(2-methylpropyl)-1H-pyrazin-2-one
Manual XrefsDatabases
26537283ChemSpider