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
Cannabigerolic acid mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
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 |
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 |
ChemIDPlus | 025555571 |
PubChem | 6449999 |
ChEMBL | CHEMBL463843 |
KEGG | C20406 |
ChemSpider | 4952655 |
ChEBI | CHEBI:67081 |