Record Information |
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Version | 5.0 |
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Status | Expected but not Quantified |
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Creation Date | 2021-09-24 05:33:30 UTC |
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Update Date | 2021-09-24 05:33:30 UTC |
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HMDB ID | HMDB0303908 |
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Secondary Accession Numbers | None |
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Metabolite Identification |
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Common Name | 10-epi-gamma-eudesmol |
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Description | 10-epi-gamma-eudesmol, also known as 10alpha-eudesm-4-en-11-ol, belongs to the class of organic compounds known as eudesmane, isoeudesmane or cycloeudesmane sesquiterpenoids. These are sesquiterpenoids with a structure based on the eudesmane skeleton. Based on a literature review very few articles have been published on 10-epi-gamma-eudesmol. |
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Structure | [H][C@]1(CC[C@]2(C)CCCC(C)=C2C1)C(C)(C)O InChI=1S/C15H26O/c1-11-6-5-8-15(4)9-7-12(10-13(11)15)14(2,3)16/h12,16H,5-10H2,1-4H3/t12-,15+/m1/s1 |
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Synonyms | Value | Source |
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10alpha-Eudesm-4-en-11-ol | Kegg | 10a-Eudesm-4-en-11-ol | Generator | 10Α-eudesm-4-en-11-ol | Generator | 10-Epi-g-eudesmol | Generator | 10-Epi-γ-eudesmol | Generator |
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Chemical Formula | C15H26O |
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Average Molecular Weight | 222.372 |
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Monoisotopic Molecular Weight | 222.198365457 |
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IUPAC Name | 2-[(2R,4aS)-4a,8-dimethyl-1,2,3,4,4a,5,6,7-octahydronaphthalen-2-yl]propan-2-ol |
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Traditional Name | 10-epi-gamma-eudesmol |
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CAS Registry Number | Not Available |
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SMILES | [H][C@]1(CC[C@]2(C)CCCC(C)=C2C1)C(C)(C)O |
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InChI Identifier | InChI=1S/C15H26O/c1-11-6-5-8-15(4)9-7-12(10-13(11)15)14(2,3)16/h12,16H,5-10H2,1-4H3/t12-,15+/m1/s1 |
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InChI Key | WMOPMQRJLLIEJV-DOMZBBRYSA-N |
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Chemical Taxonomy |
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Description | Belongs to the class of organic compounds known as eudesmane, isoeudesmane or cycloeudesmane sesquiterpenoids. These are sesquiterpenoids with a structure based on the eudesmane skeleton. |
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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 | Eudesmane, isoeudesmane or cycloeudesmane sesquiterpenoids |
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Alternative Parents | |
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Substituents | - Eudesmane, isoeudesmane or cycloeudesmane sesquiterpenoid
- Tertiary alcohol
- Organic oxygen compound
- Hydrocarbon derivative
- Organooxygen compound
- Alcohol
- Aliphatic homopolycyclic compound
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Molecular Framework | Aliphatic homopolycyclic compounds |
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External Descriptors | |
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Ontology |
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Physiological effect | |
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Disposition | Not Available |
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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 - 10-epi-gamma-eudesmol 10V, Positive-QTOF | splash10-0ab9-0290000000-fce0230cedbebdc407ad | 2019-02-22 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10-epi-gamma-eudesmol 20V, Positive-QTOF | splash10-0609-2930000000-436ed013b9571005f88c | 2019-02-22 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10-epi-gamma-eudesmol 40V, Positive-QTOF | splash10-00ri-7900000000-2bf5a135ffadb81a9750 | 2019-02-22 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10-epi-gamma-eudesmol 10V, Negative-QTOF | splash10-00di-0090000000-3f7a040165b1579d98c7 | 2019-02-23 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10-epi-gamma-eudesmol 20V, Negative-QTOF | splash10-0229-0390000000-332652b40a33579485a9 | 2019-02-23 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10-epi-gamma-eudesmol 40V, Negative-QTOF | splash10-08ms-0930000000-e462364b32bed8e7f41c | 2019-02-23 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10-epi-gamma-eudesmol 10V, Positive-QTOF | splash10-05fr-0590000000-9efb404575d741c69632 | 2021-10-21 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10-epi-gamma-eudesmol 20V, Positive-QTOF | splash10-05fr-4920000000-52e127de680deb252adc | 2021-10-21 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10-epi-gamma-eudesmol 40V, Positive-QTOF | splash10-0006-9400000000-e8118fd0bbcaf2385e95 | 2021-10-21 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10-epi-gamma-eudesmol 10V, Negative-QTOF | splash10-00di-0090000000-ab61d8a2af41e6ed2e49 | 2021-10-21 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10-epi-gamma-eudesmol 20V, Negative-QTOF | splash10-00di-0090000000-ab61d8a2af41e6ed2e49 | 2021-10-21 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10-epi-gamma-eudesmol 40V, Negative-QTOF | splash10-00di-0290000000-24d4c17a50c1e5955d8a | 2021-10-21 | Wishart Lab | View Spectrum |
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