Record Information |
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Version | 1.0 |
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Created at | 2022-12-23 12:12:23 UTC |
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Updated at | 2024-04-19 09:40:06 UTC |
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NP-MRD ID | NP0331404 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | N-Hydroxypyrazinone acid |
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Description | Not Available |
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Structure | CC(C)CC1=NC([C@H](C)C(O)=O)=C(C(C)C)N(O)C1=O InChI=1S/C14H22N2O4/c1-7(2)6-10-13(17)16(20)12(8(3)4)11(15-10)9(5)14(18)19/h7-9,20H,6H2,1-5H3,(H,18,19)/t9-/m0/s1 |
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Synonyms | Not Available |
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Chemical Formula | C14H22N2O4 |
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Average Mass | 282.3400 Da |
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Monoisotopic Mass | 282.15796 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 | CC(C)CC1=NC([C@H](C)C(O)=O)=C(C(C)C)N(O)C1=O |
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InChI Identifier | InChI=1S/C14H22N2O4/c1-7(2)6-10-13(17)16(20)12(8(3)4)11(15-10)9(5)14(18)19/h7-9,20H,6H2,1-5H3,(H,18,19)/t9-/m0/s1 |
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InChI Key | RZMDQYVFAAZVTQ-VIFPVBQESA-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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HMBC NMR | [1H, 13C] NMR Spectrum (2D, 500 MHz, CDCl3, experimental) | sg.dastager@ncl.res.in | Not Available | Not Available | 2022-12-23 | View Spectrum | HSQC NMR | [1H, 13C] NMR Spectrum (2D, 500 MHz, CDCl3, experimental) | sg.dastager@ncl.res.in | Not Available | Not Available | 2022-12-23 | View Spectrum | NOESY NMR | [1H, 1H] NMR Spectrum (2D, 500 MHz, CDCl3, experimental) | sg.dastager@ncl.res.in | Not Available | Not Available | 2022-12-23 | View Spectrum | COSY NMR | [1H, 1H] NMR Spectrum (2D, 500 MHz, CDCl3, experimental) | sg.dastager@ncl.res.in | Not Available | Not Available | 2022-12-23 | View Spectrum | 1D NMR | [13C, ] NMR Spectrum (2D, 126 MHz, CDCl3, experimental) | sg.dastager@ncl.res.in | Not Available | Not Available | 2022-12-23 | View Spectrum | 1D NMR | [13C, ] NMR Spectrum (2D, 126 MHz, CD3OD, experimental) | sg.dastager@ncl.res.in | Not Available | Not Available | 2022-12-23 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 125.77 MHz, CD3OD, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 125.77 MHz, CDCl3, simulated) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum |
| Predicted Spectra |
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| Not Available | Chemical Shift Submissions |
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| Not Available | Species |
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Species of Origin | Not Available |
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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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