Record Information |
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Version | 1.0 |
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Created at | 2020-12-09 01:27:25 UTC |
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Updated at | 2021-07-15 16:47:42 UTC |
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NP-MRD ID | NP0003908 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | Brevioxime |
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Provided By | NPAtlas |
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Description | Brevioxime is found in Penicillium brevicompactum. It was first documented in 1997 (PMID: 11671999). Based on a literature review very few articles have been published on (8Z)-2-[(5E)-hept-5-en-1-yl]-8-(hydroxyimino)-3-methyl-4H,6H,7H,8H,8aH-pyrrolo[2,1-b][1,3]oxazin-4-one. |
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Structure | [H]O\N=C1\C([H])([H])C([H])([H])N2C(=O)C(=C(O[C@]12[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(/[H])C([H])([H])[H])C([H])([H])[H] InChI=1S/C15H22N2O3/c1-3-4-5-6-7-8-13-11(2)14(18)17-10-9-12(16-19)15(17)20-13/h3-4,15,19H,5-10H2,1-2H3/b4-3+,16-12-/t15-/m1/s1 |
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Synonyms | Not Available |
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Chemical Formula | C15H22N2O3 |
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Average Mass | 278.3520 Da |
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Monoisotopic Mass | 278.16304 Da |
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IUPAC Name | (8Z,8aR)-2-[(5E)-hept-5-en-1-yl]-8-(hydroxyimino)-3-methyl-4H,6H,7H,8H,8aH-pyrrolo[2,1-b][1,3]oxazin-4-one |
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Traditional Name | (8Z,8aR)-2-[(5E)-hept-5-en-1-yl]-8-(hydroxyimino)-3-methyl-6H,7H,8aH-pyrrolo[2,1-b][1,3]oxazin-4-one |
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CAS Registry Number | Not Available |
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SMILES | C\C=C\CCCCC1=C(C)C(=O)N2CC\C(=N\O)C2O1 |
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InChI Identifier | InChI=1S/C15H22N2O3/c1-3-4-5-6-7-8-13-11(2)14(18)17-10-9-12(16-19)15(17)20-13/h3-4,15,19H,5-10H2,1-2H3/b4-3+,16-12- |
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InChI Key | CAWNVSRVNRWMNU-YXGBFYNGSA-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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