CHEBI:2879 - Aspergillic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Aspergillic acid
ChEBI ID CHEBI:2879
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C12H20N2O2
Net Charge 0
Average Mass 224.300
Monoisotopic Mass 224.15248
InChI InChI=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
InChIKey IUZCDJYHMMWBBE-UHFFFAOYSA-N
SMILES CCC(C)c1cnc(CC(C)C)c(=O)n1O
ChEBI Ontology
Outgoing Aspergillic acid (CHEBI:2879) is a pyrazines (CHEBI:38314)
Synonym Source
Aspergillic acid KEGG COMPOUND
Manual Xrefs Databases
C00002316 KNApSAcK
C10571 KEGG COMPOUND
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Registry Number Type Source
490-02-8 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014