Record Information |
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Version | 1.0 |
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Created at | 2021-01-06 08:49:58 UTC |
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Updated at | 2021-07-15 17:42:43 UTC |
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NP-MRD ID | NP0023793 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | Pyridovericin |
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Provided By | NPAtlas |
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Description | Pyridovericin is found in Beauveria bassiana and Beauveria bassiana EPF-5. It was first documented in 1998 (PMID: 9711226). Based on a literature review very few articles have been published on (2E,4E)-1-[2,4-dihydroxy-5-(4-hydroxyphenyl)pyridin-3-yl]-6-(hydroxymethyl)-4-methylocta-2,4-dien-1-one. |
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Structure | [H]OC1=C([H])C([H])=C(C([H])=C1[H])C1=C([H])N([H])C(=O)C(C(=O)C(\[H])=C(/[H])\C(=C(/[H])[C@@]([H])(C([H])([H])O[H])C([H])([H])C([H])([H])[H])\C([H])([H])[H])=C1O[H] InChI=1S/C21H23NO5/c1-3-14(12-23)10-13(2)4-9-18(25)19-20(26)17(11-22-21(19)27)15-5-7-16(24)8-6-15/h4-11,14,23-24H,3,12H2,1-2H3,(H2,22,26,27)/b9-4+,13-10+/t14-/m0/s1 |
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Synonyms | Not Available |
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Chemical Formula | C21H23NO5 |
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Average Mass | 369.4170 Da |
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Monoisotopic Mass | 369.15762 Da |
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IUPAC Name | 4-hydroxy-3-[(2E,4E,6S)-6-(hydroxymethyl)-4-methylocta-2,4-dienoyl]-5-(4-hydroxyphenyl)-1,2-dihydropyridin-2-one |
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Traditional Name | 4-hydroxy-3-[(2E,4E,6S)-6-(hydroxymethyl)-4-methylocta-2,4-dienoyl]-5-(4-hydroxyphenyl)-1H-pyridin-2-one |
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CAS Registry Number | Not Available |
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SMILES | [H]\C(=C(\[H])C(=O)C1=C(O)C(=CN=C1O)C1=CC=C(O)C=C1)\C(\C)=C(/[H])C(CC)CO |
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InChI Identifier | InChI=1S/C21H23NO5/c1-3-14(12-23)10-13(2)4-9-18(25)19-20(26)17(11-22-21(19)27)15-5-7-16(24)8-6-15/h4-11,14,23-24H,3,12H2,1-2H3,(H2,22,26,27)/b9-4+,13-10+ |
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InChI Key | RZNMCGWGYUMEOL-HTKXOECOSA-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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