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

ChEBI IDCHEBI:174627
ChEBI Name2-Hydroxy-6-(8,11,14-pentadecatrienyl)benzoic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H30O3
Net Charge0
Average Mass342.479
Monoisotopic Mass342.21949
SMILESC=CC/C=C/C/C=C/CCCCCCCc1cccc(O)c1C(=O)O
InChIInChI=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+
InChIKeyQUVGEKPNSCFQIR-AOSYACOCSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
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
Manual XrefsDatabases
HMDB0031059HMDB
4534900ChemSpider
Registry NumbersSources
CAS:18654-18-7ChemIDplus