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CHEBI:217195 - Neoaspergillic acid

ChEBI IDCHEBI:217195
ChEBI NameNeoaspergillic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H20N2O2
Net Charge0
Average Mass224.304
Monoisotopic Mass224.15248
SMILESCC(C)Cc1ncc(CC(C)C)[n+]([O-])c1O
InChIInChI=1S/C12H20N2O2/c1-8(2)5-10-7-13-11(6-9(3)4)12(15)14(10)16/h7-9,15H,5-6H2,1-4H3
InChIKeyDNJZKZJAZHFYQY-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Aspergillus sclerotiorum (ncbitaxon:138282) - PubMed (14285509)
ChEBI Ontology
Outgoing Relation(s)
Neoaspergillic acid (CHEBI:217195) is a pyrazines (CHEBI:38314)
Manual XrefsDatabases
32775044ChemSpider