| Record Information |
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| Version | 2.0 |
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| Created at | 2021-01-05 23:44:52 UTC |
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| Updated at | 2021-07-15 17:17:48 UTC |
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| NP-MRD ID | NP0014632 |
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| Secondary Accession Numbers | None |
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| Natural Product Identification |
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| Common Name | Marinoaziridine A |
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| Provided By | NPAtlas |
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| Description | Marinoaziridine A is found in Mooreia and Mooreia alkaloidigena. Based on a literature review very few articles have been published on 4-[(2R)-1,3,3-trimethylaziridin-2-yl]quinolin-2-ol. |
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| Structure | [H]N1C(=O)C([H])=C(C2=C([H])C([H])=C([H])C([H])=C12)[C@@]1([H])[N@](C([H])([H])[H])C1(C([H])([H])[H])C([H])([H])[H] InChI=1S/C14H16N2O/c1-14(2)13(16(14)3)10-8-12(17)15-11-7-5-4-6-9(10)11/h4-8,13H,1-3H3,(H,15,17)/t13-,16+/m1/s1 |
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| Synonyms | Not Available |
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| Chemical Formula | C14H16N2O |
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| Average Mass | 228.2950 Da |
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| Monoisotopic Mass | 228.12626 Da |
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| IUPAC Name | 4-[(1S,2R)-1,3,3-trimethylaziridin-2-yl]-1,2-dihydroquinolin-2-one |
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| Traditional Name | 4-[(1S,2R)-1,3,3-trimethylaziridin-2-yl]-1H-quinolin-2-one |
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| CAS Registry Number | Not Available |
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| SMILES | CN1[C@H](C2=CC(=O)NC3=CC=CC=C23)C1(C)C |
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| InChI Identifier | InChI=1S/C14H16N2O/c1-14(2)13(16(14)3)10-8-12(17)15-11-7-5-4-6-9(10)11/h4-8,13H,1-3H3,(H,15,17)/t13-,16?/m1/s1 |
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| InChI Key | MVNPXYACAWOCTC-JBZHPUCOSA-N |
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| Experimental Spectra |
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| Not Available | | Predicted Spectra |
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| | Spectrum Type | Description | Depositor ID | Depositor Organization | Depositor | Deposition Date | View |
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| 1D NMR | 13C NMR Spectrum (1D, 25 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 100 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 252 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 1000 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 50 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 200 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 75 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 300 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 101 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 400 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 126 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 500 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 151 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 176 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 700 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 201 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 800 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 13C NMR Spectrum (1D, 226 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | | 1D NMR | 1H NMR Spectrum (1D, 900 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum |
| | Chemical Shift Submissions |
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| Not Available | | Species |
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| Species of Origin | |
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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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