Record Information |
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Version | 2.0 |
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Created at | 2023-02-14 12:01:08 UTC |
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Updated at | 2024-09-03 04:15:59 UTC |
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NP-MRD ID | NP0331514 |
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Natural Product DOI | https://doi.org/10.57994/0480 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | Myristriol |
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Description | Myristriol was first documented in 2023 (PMID: 36762483). Based on a literature review very few articles have been published on Myristriol. |
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Structure | COC1=C2OCOC2=CC(=C1)[C@H](O)[C@@H](O)CO InChI=1S/C11H14O6/c1-15-8-2-6(10(14)7(13)4-12)3-9-11(8)17-5-16-9/h2-3,7,10,12-14H,4-5H2,1H3/t7-,10-/m0/s1 |
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Synonyms | Not Available |
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Chemical Formula | C11H14O6 |
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Average Mass | 242.2270 Da |
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Monoisotopic Mass | 242.07904 Da |
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IUPAC Name | Not Available |
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Traditional Name | Not Available |
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CAS Registry Number | Not Available |
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SMILES | COC1=C2OCOC2=CC(=C1)[C@H](O)[C@@H](O)CO |
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InChI Identifier | InChI=1S/C11H14O6/c1-15-8-2-6(10(14)7(13)4-12)3-9-11(8)17-5-16-9/h2-3,7,10,12-14H,4-5H2,1H3/t7-,10-/m0/s1 |
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InChI Key | BFXRENZAXPTTKR-XVKPBYJWSA-N |
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Experimental Spectra |
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| Spectrum Type | Description | Depositor Email | Depositor Organization | Depositor | Deposition Date | View |
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ROESY NMR | [1H, 1H] NMR Spectrum (2D, 600 MHz, CD3OD, experimental) | shaolidong@ynutcm.edu.cn | Not Available | Not Available | 2024-05-11 | View Spectrum | COSY NMR | [1H, 1H] NMR Spectrum (2D, 600 MHz, CD3OD, experimental) | shaolidong@ynutcm.edu.cn | Not Available | Not Available | 2024-05-11 | View Spectrum | HSQC NMR | [1H, 13C] NMR Spectrum (2D, 600 MHz, CD3OD, experimental) | shaolidong@ynutcm.edu.cn | Not Available | Not Available | 2024-05-11 | View Spectrum | HMBC NMR | [1H, 13C] NMR Spectrum (2D, 600 MHz, CD3OD, experimental) | shaolidong@ynutcm.edu.cn | Not Available | Not Available | 2024-05-11 | View Spectrum | 1D_DEPT NMR | 13C NMR Spectrum (1D, 151 MHz, CD3OD, experimental) | shaolidong@ynutcm.edu.cn | Not Available | Not Available | 2024-05-11 | View Spectrum | 1D_DEPT NMR | 13C NMR Spectrum (1D, 151 MHz, CD3OD, experimental) | shaolidong@ynutcm.edu.cn | Not Available | Not Available | 2024-05-11 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 151 MHz, CD3OD, experimental) | shaolidong@ynutcm.edu.cn | Not Available | Not Available | 2024-05-11 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, CD3OD, experimental) | shaolidong@ynutcm.edu.cn | Not Available | Not Available | 2024-05-11 | View Spectrum |
| Predicted Spectra |
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| Spectrum Type | Description | Depositor ID | Depositor Organization | Depositor | Deposition Date | View |
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| Chemical Shift Submissions |
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| Spectrum Type | Description | Depositor Email | Depositor Organization | Depositor | Deposition Date | View |
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1D NMR | 1H NMR Spectrum (1D, 600.13, CD3OD, simulated) | Not Available | Not Available | Not Available | 2024-05-11 | View Spectrum |
| Species |
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Species of Origin | Species Name | Source | Reference |
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fragrans | | |
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Chemical Taxonomy |
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Classification | Not classified |
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Physical Properties |
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State | Not Available |
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Experimental 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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Predicted Properties | |
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