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CHEBI:167554 - cannabichromenate

ChEBI IDCHEBI:167554
ChEBI Namecannabichromenate
Stars
DefinitionA hydroxy monocarboxylic acid anion that is the conjugate base of cannabichromenic acid, obtained by deprotonation of the carboxy group. Major species at pH 7.3.
Last Modified24 February 2021
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC22H29O4
Net Charge-1
Average Mass357.470
Monoisotopic Mass357.20713
SMILESCCCCCc1cc2c(c(O)c1C(=O)[O-])C=CC(C)(CCC=C(C)C)O2
InChIInChI=1S/C22H30O4/c1-5-6-7-10-16-14-18-17(20(23)19(16)21(24)25)11-13-22(4,26-18)12-8-9-15(2)3/h9,11,13-14,23H,5-8,10,12H2,1-4H3,(H,24,25)/p-1
InChIKeyHRHJHXJQMNWQTF-UHFFFAOYSA-M
ChEBI Ontology
Outgoing Relation(s)
cannabichromenate (CHEBI:167554) is a hydroxy monocarboxylic acid anion (CHEBI:36059)
cannabichromenate (CHEBI:167554) is conjugate base of cannabichromenic acid (CHEBI:167557)
Incoming Relation(s)
cannabichromenic acid (CHEBI:167557) is conjugate acid of cannabichromenate (CHEBI:167554)
IUPAC Name 
5-hydroxy-2-methyl-2-(4-methylpent-3-en-1-yl)-7-pentyl-2H-chromene-6-carboxylate
Synonyms  Source
5-hydroxy-2-methyl-2-(4-methylpent-3-en-1-yl)-7-pentyl-2H-1-benzopyran-6-carboxylateIUPAC
(+)-cannabichromenateChEBI
5-hydroxy-2-methyl-2-(4-methylpent-3-enyl)-7-pentylchromene-6-carboxylateChEBI
cannabichromenic acid(1−)ChEBI
UniProt Name  Source
cannabichromenateUniProt
Manual XrefsDatabases
CPD-7171MetaCyc
Citations