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CHEBI:221067 - APE Ec

ChEBI IDCHEBI:221067
ChEBI NameAPE Ec
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H22O3
Net Charge0
Average Mass322.404
Monoisotopic Mass322.15689
SMILESCOC(=O)/C=C/C=C/C=C/C=C/C=C/C=C/c1ccc(O)c(C)c1
InChIInChI=1S/C21H22O3/c1-18-17-19(15-16-20(18)22)13-11-9-7-5-3-4-6-8-10-12-14-21(23)24-2/h3-17,22H,1-2H3/b5-3+,6-4+,9-7+,10-8+,13-11+,14-12+
InChIKeyVKZWYFNUVFKUIX-PXNMIUTMSA-N
Species of MetaboliteComponentSourceComments
Escherichia coli CFT073 (ncbitaxon:199310) - PubMed (25036635)
ChEBI Ontology
Outgoing Relation(s)
APE Ec (CHEBI:221067) is a hydroxytoluene (CHEBI:24751)
IUPAC Name 
methyl (2E,4E,6E,8E,10E,12E)-13-(4-hydroxy-3-methylphenyl)trideca-2,4,6,8,10,12-hexaenoate