Record Information |
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Version | 1.0 |
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Created at | 2021-01-05 23:00:11 UTC |
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Updated at | 2021-07-15 17:15:17 UTC |
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NP-MRD ID | NP0013722 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | Corynechromone H |
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Provided By | NPAtlas![NPAtlas Logo](/attributions/npatlas_logo_square_small.png) |
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Description | Corynechromone H is found in Corynespora. It was first documented in 2015 (PMID: 25594263). Based on a literature review very few articles have been published on Corynechromone H. |
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Structure | [H]OC(=O)C([H])([H])C1=C([H])C(O[H])=C(OC([H])([H])[H])C2=C1C(=O)C([H])([H])[C@@]([H])(O2)C([H])([H])[C@@]([H])(O[H])C([H])([H])[H] InChI=1S/C15H18O7/c1-7(16)3-9-6-10(17)13-8(5-12(19)20)4-11(18)14(21-2)15(13)22-9/h4,7,9,16,18H,3,5-6H2,1-2H3,(H,19,20)/t7-,9-/m0/s1 |
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Synonyms | Value | Source |
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2-[(2S)-7-Hydroxy-2-[(2S)-2-hydroxypropyl]-8-methoxy-4-oxo-3,4-dihydro-2H-1-benzopyran-5-yl]acetate | Generator |
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Chemical Formula | C15H18O7 |
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Average Mass | 310.3020 Da |
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Monoisotopic Mass | 310.10525 Da |
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IUPAC Name | 2-[(2S)-7-hydroxy-2-[(2S)-2-hydroxypropyl]-8-methoxy-4-oxo-3,4-dihydro-2H-1-benzopyran-5-yl]acetic acid |
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Traditional Name | [(2S)-7-hydroxy-2-[(2S)-2-hydroxypropyl]-8-methoxy-4-oxo-2,3-dihydro-1-benzopyran-5-yl]acetic acid |
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CAS Registry Number | Not Available |
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SMILES | COC1=C(O)C=C(CC(O)=O)C2=C1O[C@@H](C[C@H](C)O)CC2=O |
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InChI Identifier | InChI=1S/C15H18O7/c1-7(16)3-9-6-10(17)13-8(5-12(19)20)4-11(18)14(21-2)15(13)22-9/h4,7,9,16,18H,3,5-6H2,1-2H3,(H,19,20)/t7-,9-/m0/s1 |
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InChI Key | DBCWVDSQDSUZCP-CBAPKCEASA-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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