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CHEBI:66961 - cannabinerolate

ChEBI IDCHEBI:66961
ChEBI Namecannabinerolate
Stars
DefinitionA dihydroxybenzoate that is the conjugate base of cannabinerolic acid, obtained by deprotonation of the carboxy group.
Last Modified22 October 2012
SubmitterKAX
DownloadsMolfile
FormulaC22H31O4
Net Charge-1
Average Mass359.486
Monoisotopic Mass359.22278
SMILESCCCCCc1cc(O)c(C/C=C(/C)CCC=C(C)C)c(O)c1C(=O)[O-]
InChIInChI=1S/C22H32O4/c1-5-6-7-11-17-14-19(23)18(21(24)20(17)22(25)26)13-12-16(4)10-8-9-15(2)3/h9,12,14,23-24H,5-8,10-11,13H2,1-4H3,(H,25,26)/p-1/b16-12-
InChIKeySEEZIOZEUUMJME-VBKFSLOCSA-M
ChEBI Ontology
Outgoing Relation(s)
cannabinerolate (CHEBI:66961) has functional parent olivetolate (CHEBI:66950)
cannabinerolate (CHEBI:66961) is a dihydroxybenzoate (CHEBI:36084)
cannabinerolate (CHEBI:66961) is conjugate base of cannabinerolic acid (CHEBI:67080)
Incoming Relation(s)
cannabinerolic acid (CHEBI:67080) is conjugate acid of cannabinerolate (CHEBI:66961)
IUPAC Name 
3-[(2Z)-3,7-dimethylocta-2,6-dien-1-yl]-2,4-dihydroxy-6-pentylbenzoate
Synonyms  Source
cannabinerolate anionChEBI
cannabinerolate(1−)ChEBI
UniProt Name  Source
cannabinerolateUniProt
Manual XrefsDatabases
CPD-7175MetaCyc
Citations