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CHEBI:2879 - Aspergillic acid

ChEBI IDCHEBI:2879
ChEBI NameAspergillic acid
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC12H20N2O2
Net Charge0
Average Mass224.304
Monoisotopic Mass224.15248
SMILESCCC(C)c1cnc(CC(C)C)c(=O)n1O
InChIInChI=1S/C12H20N2O2/c1-5-9(4)11-7-13-10(6-8(2)3)12(15)14(11)16/h7-9,16H,5-6H2,1-4H3
InChIKeyIUZCDJYHMMWBBE-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Aspergillic acid (CHEBI:2879) is a pyrazines (CHEBI:38314)
Synonym  Source
Aspergillic acidKEGG COMPOUND
Manual XrefsDatabases
C10571KEGG COMPOUND
C00002316KNApSAcK
Registry NumbersSources
CAS:490-02-8KEGG COMPOUND