Cannabigerolic acid

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Systematic / IUPAC Name: 3-[(2E)-3,7-Dimethyl-2,6-octadien-1-yl]-2,4-dihydroxy-6-pentylbenzoic acid

ID: Reference6510

Other Names: (E)-3-(3,7-Dimethyl-2,6-octadienyl)-2,4-dihydroxy-6-pentylbenzoic acid;
3-[(2E)-3,7-Dimethylocta-2,6-dien-1-yl]-2,4-dihydroxy-6-pentylbenzoic acid;
3-[(2E)-3,7-Dimethylocta-2,6-dienyl]-2,4-dihydroxy-6-pentylbenzoic acid;
Benzoic acid, 3-(3,7-dimethyl-2,6-octadienyl)-2,4-dihydroxy-6-pentyl-, (E)-;
CBGA

Formula: C22H32O4

Class: Drugs of Abuse/Illegal Drugs Sports Doping Drugs Endogenous Metabolites

Spectral Data

Cannabigerolic acid mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Q Exactive Plus Orbitrap
No. of Spectral Trees 4
No. of Spectra 448
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 11/16/2018 6:25:44 AM
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Identificators

InChI InChI=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)/b16-12+
InChI Key SEEZIOZEUUMJME-FOWTUZBSSA-N
Canonical SMILES CCCCCC1=CC(=C(C(=C1C(=O)O)O)CC=C(C)CCC=C(C)C)O
CAS 25555571
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Other Names (E)-3-(3,7-Dimethyl-2,6-octadienyl)-2,4-dihydroxy-6-pentylbenzoic acid;
3-[(2E)-3,7-Dimethylocta-2,6-dien-1-yl]-2,4-dihydroxy-6-pentylbenzoic acid;
3-[(2E)-3,7-Dimethylocta-2,6-dienyl]-2,4-dihydroxy-6-pentylbenzoic acid;
Benzoic acid, 3-(3,7-dimethyl-2,6-octadienyl)-2,4-dihydroxy-6-pentyl-, (E)-;
CBGA

In Other Databases

ChemIDPlus 025555571
PubChem 6449999
ChEMBL CHEMBL463843
KEGG C20406
ChemSpider 4952655
ChEBI CHEBI:67081