Record Information |
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Version | 1.0 |
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Created at | 2020-12-09 06:34:50 UTC |
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Updated at | 2021-07-15 17:02:25 UTC |
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NP-MRD ID | NP0009138 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | Coniofurol A |
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Provided By | NPAtlas |
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Description | Coniofurol A is found in Coniochaeta sp. It was first documented in 2010 (PMID: 20405881). Based on a literature review very few articles have been published on coniofurol A. |
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Structure | [H]OC1=C2C(=O)C3=C(O[C@]([H])(C([H])([H])C([H])([H])O[H])[C@@]3(O[H])C(=O)OC([H])([H])[H])OC2=C([H])C(=C1[H])C([H])([H])[H] InChI=1S/C16H16O8/c1-7-5-8(18)11-9(6-7)23-14-12(13(11)19)16(21,15(20)22-2)10(24-14)3-4-17/h5-6,10,17-18,21H,3-4H2,1-2H3/t10-,16+/m1/s1 |
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Synonyms | Value | Source |
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Methyl (2R,3R)-3,5-dihydroxy-2-(2-hydroxyethyl)-7-methyl-4-oxo-2H,3H,4H-furo[2,3-b]chromene-3-carboxylic acid | Generator |
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Chemical Formula | C16H16O8 |
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Average Mass | 336.2960 Da |
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Monoisotopic Mass | 336.08452 Da |
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IUPAC Name | methyl (2R,3R)-3,5-dihydroxy-2-(2-hydroxyethyl)-7-methyl-4-oxo-2H,3H,4H-furo[2,3-b]chromene-3-carboxylate |
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Traditional Name | coniofurol A |
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CAS Registry Number | Not Available |
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SMILES | COC(=O)[C@]1(O)[C@@H](CCO)OC2=C1C(=O)C1=C(O2)C=C(C)C=C1O |
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InChI Identifier | InChI=1S/C16H16O8/c1-7-5-8(18)11-9(6-7)23-14-12(13(11)19)16(21,15(20)22-2)10(24-14)3-4-17/h5-6,10,17-18,21H,3-4H2,1-2H3/t10-,16+/m1/s1 |
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InChI Key | NOVKWPGSOIBVFB-HWPZZCPQSA-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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