3-Hexenyl salicylic acid (CHEBI:88591)

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ChEBI Name	3-Hexenyl salicylic acid

ChEBI ID	CHEBI:88591

Stars	This entity has been manually annotated by a third party.

Supplier Information

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Formula

C13H16O3

Net Charge

Average Mass

220.265

Monoisotopic Mass

220.10994

InChI

InChI=1S/C13H16O3/c1-2-3-4-7-10-16-13(15)11-8-5-6-9-12(11)14/h3-6,8-9,14H,2,7,10H2,1H3/b4-3+

InChIKey

IEPWIPZLLIOZLU-ONEGZZNKSA-N

SMILES

CC/C(=C(/CCOC(C1=CC=CC=C1O)=O)\[H])/[H]

Metabolite of Species	Details
Homo sapiens (NCBI:txid9606)	Found in saliva (UBERON:0001836). See: PubMed

ChEBI Ontology
Outgoing	3-Hexenyl salicylic acid (CHEBI:88591) is a benzoate ester (CHEBI:36054)