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CHEBI:220696 - Hexylaconitic acid C

Default Structure
ChEBI IDCHEBI:220696
ChEBI NameHexylaconitic acid C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H20O6
Net Charge0
Average Mass272.297
Monoisotopic Mass272.12599
SMILESCCCCCC/C(C(=O)O)=C(\CC(=O)OC)C(=O)O
InChIInChI=1S/C13H20O6/c1-3-4-5-6-7-9(12(15)16)10(13(17)18)8-11(14)19-2/h3-8H2,1-2H3,(H,15,16)(H,17,18)/b10-9-
InChIKeyXGBFEHKXBNHKTB-KTKRTIGZSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (32695080)
ChEBI Ontology
Outgoing Relation(s)
Hexylaconitic acid C (CHEBI:220696) is a carbonyl compound (CHEBI:36586)