Record Information |
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Version | 1.0 |
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Created at | 2021-01-06 03:16:00 UTC |
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Updated at | 2021-07-15 17:28:38 UTC |
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NP-MRD ID | NP0018596 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | Pyanochromone |
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Provided By | NPAtlas |
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Description | Pyanochromone is found in Penicillium and Penicillium erubescens. It was first documented in 2018 (PMID: 30127313). Based on a literature review very few articles have been published on Pyanochromone. |
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Structure | [H]OC1=C(O[H])C([H])=C2C(=O)C3=C(OC2=C1[H])C([H])([H])[C@](OC([H])([H])[H])(OC3([H])[H])C([H])([H])[H] InChI=1S/C14H14O6/c1-14(18-2)5-12-8(6-19-14)13(17)7-3-9(15)10(16)4-11(7)20-12/h3-4,15-16H,5-6H2,1-2H3/t14-/m1/s1 |
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Synonyms | Not Available |
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Chemical Formula | C14H14O6 |
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Average Mass | 278.2600 Da |
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Monoisotopic Mass | 278.07904 Da |
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IUPAC Name | (3R)-7,8-dihydroxy-3-methoxy-3-methyl-1H,3H,4H,10H-pyrano[4,3-b]chromen-10-one |
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Traditional Name | (3R)-7,8-dihydroxy-3-methoxy-3-methyl-1H,4H-pyrano[4,3-b]chromen-10-one |
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CAS Registry Number | Not Available |
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SMILES | COC1(C)CC2=C(CO1)C(=O)C1=CC(O)=C(O)C=C1O2 |
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InChI Identifier | InChI=1S/C14H14O6/c1-14(18-2)5-12-8(6-19-14)13(17)7-3-9(15)10(16)4-11(7)20-12/h3-4,15-16H,5-6H2,1-2H3 |
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InChI Key | XINFJHCGZGHLHN-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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