Record Information |
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Version | 5.0 |
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Status | Expected but not Quantified |
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Creation Date | 2021-09-23 19:06:17 UTC |
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Update Date | 2021-09-23 19:06:17 UTC |
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HMDB ID | HMDB0302609 |
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Secondary Accession Numbers | None |
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Metabolite Identification |
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Common Name | Germacrene |
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Description | Germacrene, also known as (e,e)-germacra-1(10),4,7(11)-triene, is a member of the class of compounds known as germacrane sesquiterpenoids. Germacrane sesquiterpenoids are sesquiterpenoids having the germacrane skeleton, with a structure characterized by a cyclodecane ring substituted with an isopropyl and two methyl groups. Thus, germacrene is considered to be an isoprenoid lipid molecule. Germacrene can be found in turmeric, which makes germacrene a potential biomarker for the consumption of this food product. Germacrenes are a class of volatile organic hydrocarbons, specifically, sesquiterpenes. Germacrenes are typically produced in a number of plant species for their antimicrobial and insecticidal properties, though they also play a role as insect pheromones. Two prominent molecules are germacrene A and germacrene D . |
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Structure | CC(C)=C1CC\C(C)=C\CC\C(C)=C\C1 InChI=1S/C15H24/c1-12(2)15-10-8-13(3)6-5-7-14(4)9-11-15/h6,9H,5,7-8,10-11H2,1-4H3/b13-6+,14-9+ |
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Synonyms | Value | Source |
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(1E,5E)-8-Isopropylidene-1,5-dimethylcyclodeca-1,5-diene | ChEBI | (e,e)-Germacra-1(10),4,7(11)-triene | ChEBI | 1,5-Dimethyl-8-(1-methylethylidene)-1,5-cyclodecadiene | ChEBI | Germacra-1(10),4,7(11)-triene | ChEBI | Germacrene b | ChEBI | (e,e)-Germacrene b | Kegg | (e,e)-1,5-Dimethyl-8-(1-methylethylidene)-1,5-cyclodecadiene | Kegg | (1E,5E)-1,5-Dimethyl-8-(1-methylethylidene)-1,5-cyclodecadiene | PhytoBank |
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Chemical Formula | C15H24 |
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Average Molecular Weight | 204.3511 |
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Monoisotopic Molecular Weight | 204.187800768 |
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IUPAC Name | (1E,5E)-1,5-dimethyl-8-(propan-2-ylidene)cyclodeca-1,5-diene |
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Traditional Name | germacrene B |
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CAS Registry Number | Not Available |
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SMILES | CC(C)=C1CC\C(C)=C\CC\C(C)=C\C1 |
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InChI Identifier | InChI=1S/C15H24/c1-12(2)15-10-8-13(3)6-5-7-14(4)9-11-15/h6,9H,5,7-8,10-11H2,1-4H3/b13-6+,14-9+ |
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InChI Key | GXEGJTGWYVZSNR-SJRHNVSNSA-N |
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Chemical Taxonomy |
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Description | Belongs to the class of organic compounds known as germacrane sesquiterpenoids. These are sesquiterpenoids having the germacrane skeleton, with a structure characterized by a cyclodecane ring substituted with an isopropyl and two methyl groups. |
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Kingdom | Organic compounds |
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Super Class | Lipids and lipid-like molecules |
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Class | Prenol lipids |
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Sub Class | Sesquiterpenoids |
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Direct Parent | Germacrane sesquiterpenoids |
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Alternative Parents | |
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Substituents | - Germacrane sesquiterpenoid
- Branched unsaturated hydrocarbon
- Cyclic olefin
- Unsaturated aliphatic hydrocarbon
- Unsaturated hydrocarbon
- Olefin
- Hydrocarbon
- Aliphatic homomonocyclic compound
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Molecular Framework | Aliphatic homomonocyclic compounds |
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External Descriptors | |
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Ontology |
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Physiological effect | |
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Disposition | |
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Process | Not Available |
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Role | Not Available |
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Physical Properties |
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State | Not Available |
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Experimental Molecular Properties | Property | Value | Reference |
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Melting Point | Not Available | Not Available | Boiling Point | Not Available | Not Available | Water Solubility | Not Available | Not Available | LogP | Not Available | Not Available |
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Experimental Chromatographic Properties | Not Available |
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Predicted Molecular Properties | |
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Predicted Chromatographic Properties | Predicted Collision Cross SectionsPredicted Kovats Retention IndicesNot Available |
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| MS/MS SpectraSpectrum Type | Description | Splash Key | Deposition Date | Source | View |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Germacrene 10V, Positive-QTOF | splash10-0a4i-0390000000-f8f5e306a908b157ca43 | 2016-08-01 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Germacrene 20V, Positive-QTOF | splash10-0cdi-3940000000-c9f59ec152695c4cff51 | 2016-08-01 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Germacrene 40V, Positive-QTOF | splash10-0gc9-9800000000-f4ebc761a5a959f063da | 2016-08-01 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Germacrene 10V, Negative-QTOF | splash10-0udi-0090000000-f52a559ff7e76c67b7d8 | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Germacrene 20V, Negative-QTOF | splash10-0udi-0290000000-9590e4fe2d4e7c5b0851 | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Germacrene 40V, Negative-QTOF | splash10-01p9-2900000000-0bbea13842aa92bdb11a | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Germacrene 10V, Positive-QTOF | splash10-08fr-0960000000-af7b54be4815642504fa | 2021-10-21 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Germacrene 20V, Positive-QTOF | splash10-0900-0940000000-6a3d7fdfafd3808d95e5 | 2021-10-21 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Germacrene 40V, Positive-QTOF | splash10-0006-9000000000-cf8a44d4b4800e46a6f2 | 2021-10-21 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Germacrene 10V, Negative-QTOF | splash10-0udi-0090000000-7ccf03fa1149a1e9f55f | 2021-10-21 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Germacrene 20V, Negative-QTOF | splash10-0udi-0090000000-7ccf03fa1149a1e9f55f | 2021-10-21 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Germacrene 40V, Negative-QTOF | splash10-0f79-0940000000-710d68dee1ed6f90617e | 2021-10-21 | Wishart Lab | View Spectrum |
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