| Record Information |
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| Version | 2.0 |
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| Created at | 2021-01-05 21:32:13 UTC |
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| Updated at | 2021-07-15 17:10:39 UTC |
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| NP-MRD ID | NP0012033 |
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| Secondary Accession Numbers | None |
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| Natural Product Identification |
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| Common Name | Waol A |
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| Provided By | NPAtlas |
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| Description | Waol A is found in Myceliophthora lutea, Myceliophthora lutea TF-0409 and Volutella. Waol A was first documented in 2003 (PMID: 12583741). Based on a literature review very few articles have been published on (2R,3R,7S,7aR)-3-hydroxy-2,7-bis(prop-1-en-1-yl)-2H,3H,5H,7H,7aH-furo[3,4-b]pyran-5-one (PMID: 23956472) (PMID: 15307719). |
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| Structure | [H]O[C@]1([H])C([H])=C2C(=O)O[C@@]([H])(C(\[H])=C(/[H])C([H])([H])[H])[C@]2([H])O[C@]1([H])C(\[H])=C(/[H])C([H])([H])[H] InChI=1S/C13H16O4/c1-3-5-10-9(14)7-8-12(16-10)11(6-4-2)17-13(8)15/h3-7,9-12,14H,1-2H3/b5-3+,6-4+/t9-,10-,11+,12-/m1/s1 |
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| Synonyms | Not Available |
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| Chemical Formula | C13H16O4 |
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| Average Mass | 236.2670 Da |
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| Monoisotopic Mass | 236.10486 Da |
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| IUPAC Name | (2R,3R,7S,7aR)-3-hydroxy-2,7-bis[(1E)-prop-1-en-1-yl]-2H,3H,5H,7H,7aH-furo[3,4-b]pyran-5-one |
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| Traditional Name | (2R,3R,7S,7aR)-3-hydroxy-2,7-bis[(1E)-prop-1-en-1-yl]-2H,3H,7H,7aH-furo[3,4-b]pyran-5-one |
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| CAS Registry Number | Not Available |
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| SMILES | CC=C[C@@H]1OC(=O)C2=C[C@@H](O)[C@H](O[C@@H]12)C=CC |
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| InChI Identifier | InChI=1S/C13H16O4/c1-3-5-10-9(14)7-8-12(16-10)11(6-4-2)17-13(8)15/h3-7,9-12,14H,1-2H3/t9-,10-,11+,12-/m1/s1 |
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| InChI Key | QXZDESIVIREXNJ-WISYIIOYSA-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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