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CHEBI:61679 - (−)-endo-α-bergamotene
| Formula | C15H24 |
| Net Charge | 0 |
| Average Mass | 204.357 |
| Monoisotopic Mass | 204.18780 |
| SMILES | CC(C)=CCC[C@@]1(C)[C@H]2CC=C(C)[C@@H]1C2 |
| InChI | InChI=1S/C15H24/c1-11(2)6-5-9-15(4)13-8-7-12(3)14(15)10-13/h6-7,13-14H,5,8-10H2,1-4H3/t13-,14-,15-/m0/s1 |
| InChIKey | YMBFCQPIMVLNIU-KKUMJFAQSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Solanum habrochaites (ncbitaxon:62890) | - | PubMed (19155349) |
| Roles Classification |
|---|
| Biological Roles: | plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. volatile oil component Any plant metabolite that is found naturally as a component of a volatile oil. plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. volatile oil component Any plant metabolite that is found naturally as a component of a volatile oil. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (−)-endo-α-bergamotene (CHEBI:61679) has role plant metabolite (CHEBI:76924) |
| (−)-endo-α-bergamotene (CHEBI:61679) is a cis-α-bergamotene (CHEBI:176809) |
| IUPAC Name |
|---|
| (1S,5S,6S)-2,6-dimethyl-6-(4-methylpent-3-en-1-yl)bicyclo[3.1.1]hept-2-ene |
| UniProt Name | Source |
|---|---|
| (1S,5S,6S)-α-bergamotene | UniProt |
| Manual Xrefs | Databases |
|---|---|
| CPD-8849 | MetaCyc |
| Registry Numbers | Sources |
|---|---|
| Reaxys:5249539 | Reaxys |
| Citations |
|---|