Record Information |
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Version | 1.0 |
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Created at | 2021-01-06 07:25:37 UTC |
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Updated at | 2021-07-15 17:38:25 UTC |
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NP-MRD ID | NP0022206 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | Azicemicin B |
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Provided By | NPAtlas |
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Description | Azicemicin B is found in Amycolatopsis and Amycolatopsis sp. Mj126-NF4. It was first documented in 1995 (PMID: 7490223). Based on a literature review very few articles have been published on Azicemicin B. |
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Structure | [H]OC1=C(OC([H])([H])[H])C(O[H])=C2C(O[H])=C3C(=O)C([H])([H])[C@@]4([H])C([H])([H])[C@@](O[H])(C([H])([H])C(=O)[C@@]4(O[H])C3=C(OC([H])([H])[H])C2=C1[H])[C@]1([H])N([H])C1([H])[H] InChI=1S/C22H23NO9/c1-31-19-9-4-11(25)20(32-2)18(28)14(9)17(27)15-10(24)3-8-5-21(29,12-7-23-12)6-13(26)22(8,30)16(15)19/h4,8,12,23,25,27-30H,3,5-7H2,1-2H3/t8-,12+,21+,22+/m0/s1 |
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Synonyms | Not Available |
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Chemical Formula | C22H23NO9 |
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Average Mass | 445.4240 Da |
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Monoisotopic Mass | 445.13728 Da |
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IUPAC Name | (3R,4aR,12bS)-3-[(2R)-aziridin-2-yl]-3,7,8,10,12b-pentahydroxy-9,12-dimethoxy-1,2,3,4,4a,5,6,12b-octahydrotetraphene-1,6-dione |
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Traditional Name | (3R,4aR,12bS)-3-[(2R)-aziridin-2-yl]-3,7,8,10,12b-pentahydroxy-9,12-dimethoxy-2,4,4a,5-tetrahydrotetraphene-1,6-dione |
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CAS Registry Number | Not Available |
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SMILES | COC1=C(O)C=C2C(OC)=C3C(C(=O)CC4CC(O)(CC(=O)C34O)C3CN3)=C(O)C2=C1O |
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InChI Identifier | InChI=1S/C22H23NO9/c1-31-19-9-4-11(25)20(32-2)18(28)14(9)17(27)15-10(24)3-8-5-21(29,12-7-23-12)6-13(26)22(8,30)16(15)19/h4,8,12,23,25,27-30H,3,5-7H2,1-2H3 |
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InChI Key | UYHQCZYRKRLVIT-UHFFFAOYSA-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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