Record Information |
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Version | 2.0 |
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Created at | 2021-01-06 02:16:50 UTC |
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Updated at | 2021-07-15 17:25:57 UTC |
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NP-MRD ID | NP0017608 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | Microansamycin D |
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Provided By | NPAtlas |
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Description | Microansamycin D is found in Micromonospora sp. |
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Structure | [H]O[C@]1([H])C([H])=C2N([H])C(=O)[C@@]([H])(C(=O)\C(=C(\[H])/C(/[H])=C([H])\C([H])([H])C([H])([H])[C@@]([H])(C2=O)C1([H])[H])C([H])([H])[H])C([H])([H])[H] InChI=1S/C17H21NO4/c1-10-6-4-3-5-7-12-8-13(19)9-14(16(12)21)18-17(22)11(2)15(10)20/h3-4,6,9,11-13,19H,5,7-8H2,1-2H3,(H,18,22)/b4-3-,10-6-/t11-,12-,13+/m1/s1 |
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Synonyms | Not Available |
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Chemical Formula | C17H21NO4 |
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Average Mass | 303.3580 Da |
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Monoisotopic Mass | 303.14706 Da |
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IUPAC Name | (4R,6Z,8Z,12R,14S)-14-hydroxy-4,6-dimethyl-2-azabicyclo[10.3.1]hexadeca-1(15),6,8-triene-3,5,16-trione |
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Traditional Name | (4R,6Z,8Z,12R,14S)-14-hydroxy-4,6-dimethyl-2-azabicyclo[10.3.1]hexadeca-1(15),6,8-triene-3,5,16-trione |
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CAS Registry Number | Not Available |
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SMILES | CC1C(=O)NC2=C[C@@H](O)C[C@@H](CC\C=C/C=C(C)\C1=O)C2=O |
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InChI Identifier | InChI=1S/C17H21NO4/c1-10-6-4-3-5-7-12-8-13(19)9-14(16(12)21)18-17(22)11(2)15(10)20/h3-4,6,9,11-13,19H,5,7-8H2,1-2H3,(H,18,22)/b4-3-,10-6-/t11?,12-,13+/m1/s1 |
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InChI Key | OZVOBKXDCXNUSY-GZHLBTTHSA-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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