Record Information |
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Version | 1.0 |
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Created at | 2021-01-05 19:47:42 UTC |
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Updated at | 2021-07-15 17:05:23 UTC |
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NP-MRD ID | NP0010187 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | Pyridinopyrone B |
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Provided By | NPAtlas |
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Description | Pyridinopyrone B is found in Streptomyces. It was first documented in 2011 (PMID: 21751787). Based on a literature review very few articles have been published on Pyridinopyrone B. |
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Structure | [H]\C(\C(\[H])=C(/[H])C1=C([H])C(OC([H])([H])[H])=C(C(=O)O1)C([H])([H])[H])=C(\[H])/C(=C(\[H])/C(/[H])=C(\[H])C1=C([H])C([H])=C([H])N=C1[H])/C([H])([H])[H] InChI=1S/C21H21NO3/c1-16(9-6-10-18-11-7-13-22-15-18)8-4-5-12-19-14-20(24-3)17(2)21(23)25-19/h4-15H,1-3H3/b8-4+,10-6+,12-5+,16-9+ |
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Synonyms | Value | Source |
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Pyridinopyrone C | MeSH |
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Chemical Formula | C21H21NO3 |
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Average Mass | 335.4030 Da |
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Monoisotopic Mass | 335.15214 Da |
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IUPAC Name | 4-methoxy-3-methyl-6-[(1E,3E,5E,7E)-5-methyl-8-(pyridin-3-yl)octa-1,3,5,7-tetraen-1-yl]-2H-pyran-2-one |
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Traditional Name | 4-methoxy-3-methyl-6-[(1E,3E,5E,7E)-5-methyl-8-(pyridin-3-yl)octa-1,3,5,7-tetraen-1-yl]pyran-2-one |
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CAS Registry Number | Not Available |
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SMILES | COC1=C(C)C(=O)OC(\C=C\C=C\C(\C)=C\C=C\C2=CN=CC=C2)=C1 |
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InChI Identifier | InChI=1S/C21H21NO3/c1-16(9-6-10-18-11-7-13-22-15-18)8-4-5-12-19-14-20(24-3)17(2)21(23)25-19/h4-15H,1-3H3/b8-4+,10-6+,12-5+,16-9+ |
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InChI Key | SQIDDVNMQFWMLQ-GOZIZPNMSA-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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