2-Hydroxy-6-(8,11,14-pentadecatrienyl)benzoic acid (CHEBI:174627)

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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	2-Hydroxy-6-(8,11,14-pentadecatrienyl)benzoic acid

ChEBI ID	CHEBI:174627

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

Submitter	MetaboLights

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Formula

C22H30O3

Net Charge

Average Mass

342.479

Monoisotopic Mass

342.21949

InChI

InChI=1S/C22H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-17-15-18-20(23)21(19)22(24)25/h2,4-5,7-8,15,17-18,23H,1,3,6,9-14,16H2,(H,24,25)/b5-4+,8-7+

InChIKey

QUVGEKPNSCFQIR-AOSYACOCSA-N

SMILES

OC=1C(=C(CCCCCCC/C=C/C/C=C/CC=C)C=CC1)C(O)=O

Roles Classification
Chemical Role(s):	Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid )

ChEBI Ontology
Outgoing	2-Hydroxy-6-(8,11,14-pentadecatrienyl)benzoic acid (CHEBI:174627) has functional parent salicylic acid (CHEBI:16914) 2-Hydroxy-6-(8,11,14-pentadecatrienyl)benzoic acid (CHEBI:174627) is a hydroxybenzoic acid (CHEBI:24676)

IUPAC Name

2-hydroxy-6-[(8E,11E)-pentadeca-8,11,14-trienyl]benzoic acid

Registry Number	Type	Source
18654-18-7	CAS Registry Number	ChemIDplus