CHEBI:221067 - APE Ec

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name APE Ec
ChEBI ID CHEBI:221067
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C21H22O3
Net Charge 0
Average Mass 322.404
Monoisotopic Mass 322.15689
InChI InChI=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+
InChIKey VKZWYFNUVFKUIX-PXNMIUTMSA-N
SMILES O=C(OC)/C=C/C=C/C=C/C=C/C=C/C=C/C1=CC(=C(O)C=C1)C
Metabolite of Species Details
Escherichia coli CFT073 (NCBI:txid199310) See: PubMed
ChEBI Ontology
Outgoing 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