Record Information |
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Version | 2.0 |
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Created at | 2021-01-06 02:16:52 UTC |
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Updated at | 2021-07-15 17:25:57 UTC |
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NP-MRD ID | NP0017609 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | Microansamycin E |
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Provided By | NPAtlas |
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Description | Microansamycin E is found in Micromonospora sp. Based on a literature review very few articles have been published on (8S,9R,11R,13R)-3,8,14-trihydroxy-11,13-dimethyl-17-oxa-15-azatricyclo[7.6.2.0⁵,¹⁶]Heptadeca-1(16),2,4,14-tetraen-12-one. |
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Structure | [H]OC1=C([H])C2=C3O[C@]([H])(C([H])([H])[C@]([H])(C(=O)[C@@]([H])(C(=O)N([H])C3=C1[H])C([H])([H])[H])C([H])([H])[H])[C@@]([H])(O[H])C([H])([H])C2([H])[H] InChI=1S/C17H21NO5/c1-8-5-14-13(20)4-3-10-6-11(19)7-12(16(10)23-14)18-17(22)9(2)15(8)21/h6-9,13-14,19-20H,3-5H2,1-2H3,(H,18,22)/t8-,9+,13+,14-/m1/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 | (8S,9R,11R,13S)-3,8-dihydroxy-11,13-dimethyl-17-oxa-15-azatricyclo[7.6.2.0^{5,16}]heptadeca-1,3,5(16)-triene-12,14-dione |
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Traditional Name | (8S,9R,11R,13S)-3,8-dihydroxy-11,13-dimethyl-17-oxa-15-azatricyclo[7.6.2.0^{5,16}]heptadeca-1,3,5(16)-triene-12,14-dione |
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CAS Registry Number | Not Available |
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SMILES | C[C@@H]1C[C@H]2OC3=C(CC[C@@H]2O)C=C(O)C=C3NC(=O)[C@@H](C)C1=O |
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InChI Identifier | InChI=1S/C17H21NO5/c1-8-5-14-13(20)4-3-10-6-11(19)7-12(16(10)23-14)18-17(22)9(2)15(8)21/h6-9,13-14,19-20H,3-5H2,1-2H3,(H,18,22)/t8-,9+,13+,14-/m1/s1 |
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InChI Key | KYQIWZZDXJQVAY-OBPYKSBLSA-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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