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CHEBI:220713 - Hexylitaconic acid E

Default Structure
ChEBI IDCHEBI:220713
ChEBI NameHexylitaconic acid E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H18O6
Net Charge0
Average Mass258.270
Monoisotopic Mass258.11034
SMILESC=C(C(=O)O)[C@H](CCCCCOC(C)=O)C(=O)O
InChIInChI=1S/C12H18O6/c1-8(11(14)15)10(12(16)17)6-4-3-5-7-18-9(2)13/h10H,1,3-7H2,2H3,(H,14,15)(H,16,17)/t10-/m0/s1
InChIKeyBIQWLYXQMRCGBO-JTQLQIEISA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (32695080)
ChEBI Ontology
Outgoing Relation(s)
Hexylitaconic acid E (CHEBI:220713) is a carbonyl compound (CHEBI:36586)