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CHEBI:205461 - Neohydroxyaspergillic acid

ChEBI IDCHEBI:205461
ChEBI NameNeohydroxyaspergillic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H20N2O3
Net Charge0
Average Mass240.303
Monoisotopic Mass240.14739
SMILESCC(C)Cc1ncc([C@@H](O)C(C)C)n(O)c1=O
InChIInChI=1S/C12H20N2O3/c1-7(2)5-9-12(16)14(17)10(6-13-9)11(15)8(3)4/h6-8,11,15,17H,5H2,1-4H3/t11-/m0/s1
InChIKeyQTTAJMQGQJRLDK-NSHDSACASA-N
Species of MetaboliteComponentSourceComments
Aspergillus sclerotiorum (ncbitaxon:138282) - PubMed (13522233)
ChEBI Ontology
Outgoing Relation(s)
Neohydroxyaspergillic acid (CHEBI:205461) is a pyrazines (CHEBI:38314)
IUPAC Name 
1-hydroxy-6-(1-hydroxy-2-methylpropyl)-3-(2-methylpropyl)pyrazin-2-one
Manual XrefsDatabases
316729ChemSpider