Record Information |
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Version | 2.0 |
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Created at | 2021-01-06 02:16:46 UTC |
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Updated at | 2021-07-15 17:25:56 UTC |
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NP-MRD ID | NP0017606 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | Microansamycin B |
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Provided By | NPAtlas |
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Description | Microansamycin B is found in Micromonospora sp. Based on a literature review very few articles have been published on (1R,4S,6S,8S,10R,17S)-17-hydroxy-8,10-dimethyl-5-oxa-12-azatetracyclo[8.6.1.0⁴,⁶.0¹³,¹⁷]Heptadec-13-ene-9,11,15-trione. |
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Structure | [H]O[C@@]12C3=C([H])C(=O)C([H])([H])[C@@]1([H])C([H])([H])C([H])([H])[C@]1([H])O[C@@]1([H])C([H])([H])[C@@]([H])(C(=O)[C@@]2(C(=O)N3[H])C([H])([H])[H])C([H])([H])[H] InChI=1S/C17H21NO5/c1-8-5-12-11(23-12)4-3-9-6-10(19)7-13-17(9,22)16(2,14(8)20)15(21)18-13/h7-9,11-12,22H,3-6H2,1-2H3,(H,18,21)/t8-,9+,11-,12-,16+,17+/m0/s1 |
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Synonyms | Not Available |
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Chemical Formula | C17H21NO5 |
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Average Mass | 319.3570 Da |
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Monoisotopic Mass | 319.14197 Da |
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IUPAC Name | (1R,4S,6S,8S,10R,17S)-17-hydroxy-8,10-dimethyl-5-oxa-12-azatetracyclo[8.6.1.0^{4,6}.0^{13,17}]heptadec-13-ene-9,11,15-trione |
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Traditional Name | (1R,4S,6S,8S,10R,17S)-17-hydroxy-8,10-dimethyl-5-oxa-12-azatetracyclo[8.6.1.0^{4,6}.0^{13,17}]heptadec-13-ene-9,11,15-trione |
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CAS Registry Number | Not Available |
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SMILES | C[C@H]1C[C@@H]2O[C@H]2CC[C@@H]2CC(=O)C=C3NC(=O)[C@@](C)(C1=O)[C@@]23O |
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InChI Identifier | InChI=1S/C17H21NO5/c1-8-5-12-11(23-12)4-3-9-6-10(19)7-13-17(9,22)16(2,14(8)20)15(21)18-13/h7-9,11-12,22H,3-6H2,1-2H3,(H,18,21)/t8-,9+,11-,12-,16+,17+/m0/s1 |
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InChI Key | NSJVBGMLBQMMIK-OXOMCRHWSA-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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