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CHEBI:67080 - cannabinerolic acid
| Formula | C22H32O4 |
| Net Charge | 0 |
| Average Mass | 360.494 |
| Monoisotopic Mass | 360.23006 |
| SMILES | CCCCCc1cc(O)c(C/C=C(/C)CCC=C(C)C)c(O)c1C(=O)O |
| 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- |
| InChIKey | SEEZIOZEUUMJME-VBKFSLOCSA-N |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| Biological Roles: | metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. cannabinoid receptor agonist An agonist that binds to and activates cannabinoid receptors. cannabinoid receptor agonist An agonist that binds to and activates cannabinoid receptors. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| cannabinerolic acid (CHEBI:67080) has functional parent olivetolic acid (CHEBI:66955) |
| cannabinerolic acid (CHEBI:67080) is a dihydroxybenzoic acid (CHEBI:23778) |
| cannabinerolic acid (CHEBI:67080) is a diterpenoid (CHEBI:23849) |
| cannabinerolic acid (CHEBI:67080) is a phytocannabinoid (CHEBI:67196) |
| cannabinerolic acid (CHEBI:67080) is a polyketide (CHEBI:26188) |
| cannabinerolic acid (CHEBI:67080) is a resorcinols (CHEBI:33572) |
| cannabinerolic acid (CHEBI:67080) is conjugate acid of cannabinerolate (CHEBI:66961) |
| Incoming Relation(s) |
| cannabinerolate (CHEBI:66961) is conjugate base of cannabinerolic acid (CHEBI:67080) |
| IUPAC Name |
|---|
| 3-[(2Z)-3,7-dimethylocta-2,6-dien-1-yl]-2,4-dihydroxy-6-pentylbenzoic acid |
| Manual Xrefs | Databases |
|---|---|
| CPD-7175 | MetaCyc |
| Registry Numbers | Sources |
|---|---|
| Reaxys:7340718 | Reaxys |
| Citations |
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