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CHEBI:61122 - 3-geranyl-4-hydroxybenzoic acid

Default Structure
ChEBI IDCHEBI:61122
ChEBI Name3-geranyl-4-hydroxybenzoic acid
Stars
DefinitionA monohydroxybenzoic acid having the hydroxy group at the 4-position together with a geranyl group at the 3-position.
Last Modified28 July 2014
SubmitterSteve
DownloadsMolfile
FormulaC17H22O3
Net Charge0
Average Mass274.360
Monoisotopic Mass274.15689
SMILESCC(C)=CCC/C(C)=C/Cc1cc(C(=O)O)ccc1O
InChIInChI=1S/C17H22O3/c1-12(2)5-4-6-13(3)7-8-14-11-15(17(19)20)9-10-16(14)18/h5,7,9-11,18H,4,6,8H2,1-3H3,(H,19,20)/b13-7+
InChIKeyHKIMBCGCVPYUTJ-NTUHNPAUSA-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)
3-geranyl-4-hydroxybenzoic acid (CHEBI:61122) is a monohydroxybenzoic acid (CHEBI:25389)
3-geranyl-4-hydroxybenzoic acid (CHEBI:61122) is conjugate acid of 3-geranyl-4-hydroxybenzoate(1−) (CHEBI:60878)
Incoming Relation(s)
3-geranyl-4-hydroxybenzoate(1−) (CHEBI:60878) is conjugate base of 3-geranyl-4-hydroxybenzoic acid (CHEBI:61122)
IUPAC Name 
3-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-4-hydroxybenzoic acid
Manual XrefsDatabases
C18131KEGG COMPOUND
Registry NumbersSources
Reaxys:2853541Reaxys
Citations