Record Information |
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Version | 5.0 |
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Status | Expected but not Quantified |
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Creation Date | 2012-09-11 21:55:26 UTC |
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Update Date | 2022-03-07 02:55:02 UTC |
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HMDB ID | HMDB0036751 |
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Secondary Accession Numbers | |
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Metabolite Identification |
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Common Name | ent-8(14),15-Pimaradiene |
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Description | ent-8(14),15-Pimaradiene belongs to the class of organic compounds known as diterpenoids. These are terpene compounds formed by four isoprene units. Based on a literature review a small amount of articles have been published on ent-8(14),15-Pimaradiene. |
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Structure | CC1(C)CCCC2(C)C3CCC(C)(C=C)C=C3CCC12 InChI=1S/C20H32/c1-6-19(4)13-10-16-15(14-19)8-9-17-18(2,3)11-7-12-20(16,17)5/h6,14,16-17H,1,7-13H2,2-5H3 |
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Synonyms | Not Available |
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Chemical Formula | C20H32 |
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Average Molecular Weight | 272.4681 |
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Monoisotopic Molecular Weight | 272.250401024 |
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IUPAC Name | 7-ethenyl-1,1,4a,7-tetramethyl-1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydrophenanthrene |
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Traditional Name | 7-ethenyl-1,1,4a,7-tetramethyl-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthrene |
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CAS Registry Number | Not Available |
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SMILES | CC1(C)CCCC2(C)C3CCC(C)(C=C)C=C3CCC12 |
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InChI Identifier | InChI=1S/C20H32/c1-6-19(4)13-10-16-15(14-19)8-9-17-18(2,3)11-7-12-20(16,17)5/h6,14,16-17H,1,7-13H2,2-5H3 |
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InChI Key | XDSYKASBVOZOAG-UHFFFAOYSA-N |
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Chemical Taxonomy |
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Description | Belongs to the class of organic compounds known as diterpenoids. These are terpene compounds formed by four isoprene units. |
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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 | Diterpenoids |
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Direct Parent | Diterpenoids |
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Alternative Parents | |
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Substituents | - Pimarane diterpenoid
- Diterpenoid
- Phenanthrene
- Hydrophenanthrene
- Polycyclic hydrocarbon
- Cyclic olefin
- Unsaturated aliphatic hydrocarbon
- Unsaturated hydrocarbon
- Olefin
- Hydrocarbon
- 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 | Not Available |
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Disposition | |
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Process | |
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Role | |
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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 IndicesUnderivatized |
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| GC-MS SpectraSpectrum Type | Description | Splash Key | Deposition Date | Source | View |
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Predicted GC-MS | Predicted GC-MS Spectrum - ent-8(14),15-Pimaradiene GC-MS (Non-derivatized) - 70eV, Positive | splash10-0a4l-0790000000-288c39a47ba6628cddce | 2017-09-01 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - ent-8(14),15-Pimaradiene GC-MS (Non-derivatized) - 70eV, Positive | Not Available | 2021-10-12 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - ent-8(14),15-Pimaradiene GC-MS (Non-derivatized) - 70eV, Positive | Not Available | 2021-10-12 | Wishart Lab | View Spectrum |
MS/MS SpectraSpectrum Type | Description | Splash Key | Deposition Date | Source | View |
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Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - ent-8(14),15-Pimaradiene 10V, Positive-QTOF | splash10-00di-1190000000-a4730c8b32222c819c05 | 2016-08-01 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - ent-8(14),15-Pimaradiene 20V, Positive-QTOF | splash10-0zmi-5390000000-e345de066d08449a3946 | 2016-08-01 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - ent-8(14),15-Pimaradiene 40V, Positive-QTOF | splash10-0udi-9470000000-4f85277e4e0587e4d5e5 | 2016-08-01 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - ent-8(14),15-Pimaradiene 10V, Negative-QTOF | splash10-00di-0090000000-8c348994acbdfbfe21cd | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - ent-8(14),15-Pimaradiene 20V, Negative-QTOF | splash10-00di-0090000000-e5e885c3bf1310f7c4d3 | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - ent-8(14),15-Pimaradiene 40V, Negative-QTOF | splash10-0a4i-2190000000-1e097d3d03466bd8c1f1 | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - ent-8(14),15-Pimaradiene 10V, Positive-QTOF | splash10-00di-0190000000-db791c475be0492f2d95 | 2021-09-24 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - ent-8(14),15-Pimaradiene 20V, Positive-QTOF | splash10-00di-1980000000-b2352acc58fa5a7f7c7c | 2021-09-24 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - ent-8(14),15-Pimaradiene 40V, Positive-QTOF | splash10-00c4-7910000000-4d6b9f81740c41abf719 | 2021-09-24 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - ent-8(14),15-Pimaradiene 10V, Negative-QTOF | splash10-00di-0090000000-4c81b77566a3712a2980 | 2021-09-24 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - ent-8(14),15-Pimaradiene 20V, Negative-QTOF | splash10-00di-0090000000-4c81b77566a3712a2980 | 2021-09-24 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - ent-8(14),15-Pimaradiene 40V, Negative-QTOF | splash10-00di-0090000000-baecd7c5cac4f591eaa4 | 2021-09-24 | Wishart Lab | View Spectrum |
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