Record Information |
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Version | 1.0 |
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Created at | 2021-01-05 22:53:09 UTC |
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Updated at | 2021-07-15 17:14:49 UTC |
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NP-MRD ID | NP0013561 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | Buanquinone |
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Provided By | NPAtlas |
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Description | Buanquinone is found in Streptomyces sp. It was first documented in 2015 (PMID: 25495422). Based on a literature review very few articles have been published on Buanquinone. |
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Structure | [H]OC1=C([H])C(O[H])=C2C(=O)C3=C(O[H])C4=C(C([H])=C3C(=O)C2=C1[H])C1=C(O[H])C([H])=C(C([H])=C1C([H])([H])C4([H])[H])C([H])([H])C(=O)C([H])([H])[H] InChI=1S/C25H18O7/c1-10(26)4-11-5-12-2-3-14-15(20(12)18(28)6-11)9-17-22(24(14)31)25(32)21-16(23(17)30)7-13(27)8-19(21)29/h5-9,27-29,31H,2-4H2,1H3 |
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Synonyms | Not Available |
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Chemical Formula | C25H18O7 |
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Average Mass | 430.4120 Da |
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Monoisotopic Mass | 430.10525 Da |
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IUPAC Name | 5,13,17,19-tetrahydroxy-7-(2-oxopropyl)pentacyclo[12.8.0.0^{3,12}.0^{4,9}.0^{16,21}]docosa-1,3(12),4,6,8,13,16,18,20-nonaene-15,22-dione |
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Traditional Name | 5,13,17,19-tetrahydroxy-7-(2-oxopropyl)pentacyclo[12.8.0.0^{3,12}.0^{4,9}.0^{16,21}]docosa-1,3(12),4,6,8,13,16,18,20-nonaene-15,22-dione |
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CAS Registry Number | Not Available |
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SMILES | CC(=O)CC1=CC(O)=C2C(CCC3=C(O)C4=C(C=C23)C(=O)C2=CC(O)=CC(O)=C2C4=O)=C1 |
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InChI Identifier | InChI=1S/C25H18O7/c1-10(26)4-11-5-12-2-3-14-15(20(12)18(28)6-11)9-17-22(24(14)31)25(32)21-16(23(17)30)7-13(27)8-19(21)29/h5-9,27-29,31H,2-4H2,1H3 |
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InChI Key | YBTOIEQONVVKDU-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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