APE Vf (CHEBI:221072)

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CHEBI:221072 - APE Vf

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ChEBI ID	CHEBI:221072
ChEBI Name	APE Vf
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C22H24O3
Net Charge	0
Average Mass	336.431
Monoisotopic Mass	336.17254
SMILES	COC(=O)/C=C/C=C/C=C/C=C/C=C/C=C/c1cc(C)c(O)c(C)c1
InChI	InChI=1S/C22H24O3/c1-18-16-20(17-19(2)22(18)24)14-12-10-8-6-4-5-7-9-11-13-15-21(23)25-3/h4-17,24H,1-3H3/b6-4+,7-5+,10-8+,11-9+,14-12+,15-13+
InChIKey	FJZUHVAAANRIMP-MOVKVLISSA-N

Species of Metabolite	Component	Source	Comments
Aliivibrio fischeri ES114 (ncbitaxon:312309)	-	PubMed (25036635)

ChEBI Ontology

Outgoing Relation(s)
	APE Vf (CHEBI:221072) is a hydroxytoluene (CHEBI:24751)

IUPAC Name
methyl (2E,4E,6E,8E,10E,12E)-13-(4-hydroxy-3,5-dimethylphenyl)trideca-2,4,6,8,10,12-hexaenoate