Record Information |
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Version | 2.0 |
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Created at | 2020-12-09 06:24:20 UTC |
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Updated at | 2021-07-15 17:01:47 UTC |
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NP-MRD ID | NP0008914 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | Sapurimycin |
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Provided By | NPAtlas |
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Description | Sapurimycin is found in Streptomyces. It was first documented in 1991 (PMID: 2001983). Based on a literature review very few articles have been published on 2-{8,11-dihydroxy-2-[(2S,3S)-2-methyl-3-[(1Z)-prop-1-en-1-yl]oxiran-2-yl]-4,7,12-trioxo-7,12-dihydro-4H-1-oxatetraphen-5-yl}acetic acid. |
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Structure | [H]OC(=O)C([H])([H])C1=C2C(=O)C([H])=C(OC2=C2C(=O)C3=C(O[H])C([H])=C([H])C(O[H])=C3C(=O)C2=C1[H])[C@]1(O[C@@]1([H])C(\[H])=C(\[H])C([H])([H])[H])C([H])([H])[H] InChI=1S/C25H18O9/c1-3-4-15-25(2,34-15)16-9-14(28)18-10(8-17(29)30)7-11-19(24(18)33-16)23(32)21-13(27)6-5-12(26)20(21)22(11)31/h3-7,9,15,26-27H,8H2,1-2H3,(H,29,30)/b4-3-/t15-,25-/m0/s1 |
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Synonyms | Value | Source |
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2-{8,11-dihydroxy-2-[(2S,3S)-2-methyl-3-[(1Z)-prop-1-en-1-yl]oxiran-2-yl]-4,7,12-trioxo-7,12-dihydro-4H-1-oxatetraphen-5-yl}acetate | Generator |
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Chemical Formula | C25H18O9 |
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Average Mass | 462.4100 Da |
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Monoisotopic Mass | 462.09508 Da |
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IUPAC Name | 2-{8,11-dihydroxy-2-[(2S,3S)-2-methyl-3-[(1Z)-prop-1-en-1-yl]oxiran-2-yl]-4,7,12-trioxo-7,12-dihydro-4H-1-oxatetraphen-5-yl}acetic acid |
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Traditional Name | {8,11-dihydroxy-2-[(2S,3S)-2-methyl-3-[(1Z)-prop-1-en-1-yl]oxiran-2-yl]-4,7,12-trioxo-1-oxatetraphen-5-yl}acetic acid |
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CAS Registry Number | Not Available |
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SMILES | C\C=C/[C@@H]1O[C@]1(C)C1=CC(=O)C2=C(CC(O)=O)C=C3C(=O)C4=C(O)C=CC(O)=C4C(=O)C3=C2O1 |
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InChI Identifier | InChI=1S/C25H18O9/c1-3-4-15-25(2,34-15)16-9-14(28)18-10(8-17(29)30)7-11-19(24(18)33-16)23(32)21-13(27)6-5-12(26)20(21)22(11)31/h3-7,9,15,26-27H,8H2,1-2H3,(H,29,30)/b4-3-/t15-,25-/m0/s1 |
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InChI Key | MAUMGBVGKFVQCP-NAVFIMFESA-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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Species Where Detected | |
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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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