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CHEBI:67136 - cannabidiolate

ChEBI IDCHEBI:67136
ChEBI Namecannabidiolate
Stars
DefinitionA dihydroxybenzoate that is the conjugate base of cannabidiolic acid, obtained by deprotonation of the carboxy group.
Last Modified23 August 2012
SubmitterKAX
DownloadsMolfile
FormulaC22H29O4
Net Charge-1
Average Mass357.470
Monoisotopic Mass357.20713
SMILES[H][C@@]1(c2c(O)cc(CCCCC)c(C(=O)[O-])c2O)C=C(C)CC[C@H]1C(=C)C
InChIInChI=1S/C22H30O4/c1-5-6-7-8-15-12-18(23)20(21(24)19(15)22(25)26)17-11-14(4)9-10-16(17)13(2)3/h11-12,16-17,23-24H,2,5-10H2,1,3-4H3,(H,25,26)/p-1/t16-,17+/m0/s1
InChIKeyWVOLTBSCXRRQFR-DLBZAZTESA-M
ChEBI Ontology
Outgoing Relation(s)
cannabidiolate (CHEBI:67136) has functional parent olivetolate (CHEBI:66950)
cannabidiolate (CHEBI:67136) is a dihydroxybenzoate (CHEBI:36084)
cannabidiolate (CHEBI:67136) is conjugate base of cannabidiolic acid (CHEBI:3359)
Incoming Relation(s)
cannabidiolic acid (CHEBI:3359) is conjugate acid of cannabidiolate (CHEBI:67136)
IUPAC Name 
2,4-dihydroxy-3-[(1R,6R)-3-methyl-6-(prop-1-en-2-yl)cyclohex-2-en-1-yl]-6-pentylbenzoate
Synonyms  Source
CBDASUBMITTER
cannabidiolate(1−)ChEBI
cannabidiolate anionChEBI
UniProt Name  Source
cannabidiolateUniProt
Manual XrefsDatabases
CPD-7170MetaCyc
Citations