Record Information |
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Version | 2.0 |
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Created at | 2020-12-09 03:54:30 UTC |
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Updated at | 2021-07-15 16:56:21 UTC |
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NP-MRD ID | NP0006992 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | Mitissimol E |
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Provided By | NPAtlas |
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Description | Mitissimol E is found in Lactarius mitissimus. It was first documented in 2007 (PMID: 17420568). |
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Structure | [H]O[C@]1([H])C([H])([H])[C@]2(O[C@]2([H])[C@]([H])(O[H])C(\C([H])=C([H])/C(=O)[C@@]2(O[C@]12[H])C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H] InChI=1S/C15H22O5/c1-13(2)6-5-9(17)15(4)11(20-15)8(16)7-14(3)12(19-14)10(13)18/h5-6,8,10-12,16,18H,7H2,1-4H3/b6-5-/t8-,10+,11-,12-,14-,15+/m1/s1 |
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Synonyms | Not Available |
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Chemical Formula | C15H22O5 |
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Average Mass | 282.3360 Da |
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Monoisotopic Mass | 282.14672 Da |
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IUPAC Name | (1R,3R,4R,6R,8Z,11R,12R)-3,11-dihydroxy-1,6,10,10-tetramethyl-5,13-dioxatricyclo[10.1.0.0^{4,6}]tridec-8-en-7-one |
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Traditional Name | (1R,3R,4R,6R,8Z,11R,12R)-3,11-dihydroxy-1,6,10,10-tetramethyl-5,13-dioxatricyclo[10.1.0.0^{4,6}]tridec-8-en-7-one |
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CAS Registry Number | Not Available |
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SMILES | CC12CC(O)C3OC3(C)C(=O)\C=C/C(C)(C)C(O)C1O2 |
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InChI Identifier | InChI=1S/C15H22O5/c1-13(2)6-5-9(17)15(4)11(20-15)8(16)7-14(3)12(19-14)10(13)18/h5-6,8,10-12,16,18H,7H2,1-4H3/b6-5- |
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InChI Key | JDLWCESRBYFMCS-WAYWQWQTSA-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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