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CHEBI:220693 - Hexylaconitic acid B

Default Structure
ChEBI IDCHEBI:220693
ChEBI NameHexylaconitic acid B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H22O6
Net Charge0
Average Mass286.324
Monoisotopic Mass286.14164
SMILESCCCCCC/C(C(=O)O)=C(\CC(=O)OCC)C(=O)O
InChIInChI=1S/C14H22O6/c1-3-5-6-7-8-10(13(16)17)11(14(18)19)9-12(15)20-4-2/h3-9H2,1-2H3,(H,16,17)(H,18,19)/b11-10-
InChIKeyFRVZBNASOYCNTB-KHPPLWFESA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (32695080)
ChEBI Ontology
Outgoing Relation(s)
Hexylaconitic acid B (CHEBI:220693) is a carbonyl compound (CHEBI:36586)