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CHEBI:25459 - myrtenic acid
| Formula | C10H14O2 |
| Net Charge | 0 |
| Average Mass | 166.220 |
| Monoisotopic Mass | 166.09938 |
| SMILES | CC1(C)C2CC=C(C(=O)O)C1C2 |
| InChI | InChI=1S/C10H14O2/c1-10(2)6-3-4-7(9(11)12)8(10)5-6/h4,6,8H,3,5H2,1-2H3,(H,11,12) |
| InChIKey | XPHVDOXZJRTIMV-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Carthamus tinctorius (ncbitaxon:4222) | flower (BTO:0000469) | PubMed (29575869) | |
| Conradina canescens (ncbitaxon:326153) | aerial part (BTO:0001658) | PubMed (26996011) | |
| Homo sapiens (ncbitaxon:9606) | - | PubMed (26679931) | Detected in urine. |
| Hyssopus officinalis (ncbitaxon:39324) | - | Article (Book: Khan, I.A and Abourashed, E.A. (2011) Leung’s Encyclopedia of Common Natural Ingredients: Used in Food, Drugs, and Cosmetics, 3rd Ed. John Wiley & Sons, New York.) |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| Biological Roles: | plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. human urinary metabolite Any metabolite (endogenous or exogenous) found in human urine samples. human xenobiotic metabolite Any human metabolite produced by metabolism of a xenobiotic compound in humans. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| myrtenic acid (CHEBI:25459) has functional parent α-pinene (CHEBI:36740) |
| myrtenic acid (CHEBI:25459) has role human urinary metabolite (CHEBI:84087) |
| myrtenic acid (CHEBI:25459) has role human xenobiotic metabolite (CHEBI:76967) |
| myrtenic acid (CHEBI:25459) has role plant metabolite (CHEBI:76924) |
| myrtenic acid (CHEBI:25459) is a bridged compound (CHEBI:35990) |
| myrtenic acid (CHEBI:25459) is a monoterpenoid (CHEBI:25409) |
| myrtenic acid (CHEBI:25459) is a α,β-unsaturated monocarboxylic acid (CHEBI:79020) |
| IUPAC Name |
|---|
| 6,6-dimethylbicyclo[3.1.1]hept-2-ene-2-carboxylic acid |
| Synonyms | Source |
|---|---|
| myrtenic acid | KEGG COMPOUND |
| myrtenoic acid | NIST Chemistry WebBook |
| Manual Xrefs | Databases |
|---|---|
| c0633 | UM-BBD |
| C11940 | KEGG COMPOUND |
| LMPR0102120024 | LIPID MAPS |
| Registry Numbers | Sources |
|---|---|
| CAS:19250-17-0 | ChemIDplus |
| CAS:19250-17-0 | NIST Chemistry WebBook |
| CAS:19250-17-0 | KEGG COMPOUND |
| Citations |
|---|