Record Information |
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Version | 2.0 |
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Created at | 2021-01-05 23:53:17 UTC |
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Updated at | 2021-07-15 17:18:18 UTC |
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NP-MRD ID | NP0014827 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | Hericenone K |
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Provided By | NPAtlas |
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Description | Hericenone K is found in Hericium erinaceus. It was first documented in 2015 (PMID: 26481911). Based on a literature review very few articles have been published on Hericenone K. |
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Structure | [H]OC(C([H])([H])[H])(C([H])([H])[H])C([H])([H])C(=O)C([H])([H])[C@@]1(OC2=C(C(OC([H])([H])[H])=C([H])C3=C2C(=O)OC3([H])[H])C([H])([H])C1([H])[H])C([H])([H])[H] InChI=1S/C19H24O6/c1-18(2,22)8-12(20)9-19(3)6-5-13-14(23-4)7-11-10-24-17(21)15(11)16(13)25-19/h7,22H,5-6,8-10H2,1-4H3/t19-/m1/s1 |
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Synonyms | Not Available |
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Chemical Formula | C19H24O6 |
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Average Mass | 348.3950 Da |
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Monoisotopic Mass | 348.15729 Da |
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IUPAC Name | (12R)-12-(4-hydroxy-4-methyl-2-oxopentyl)-8-methoxy-12-methyl-4,13-dioxatricyclo[7.4.0.0^{2,6}]trideca-1(9),2(6),7-trien-3-one |
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Traditional Name | (12R)-12-(4-hydroxy-4-methyl-2-oxopentyl)-8-methoxy-12-methyl-4,13-dioxatricyclo[7.4.0.0^{2,6}]trideca-1(9),2(6),7-trien-3-one |
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CAS Registry Number | Not Available |
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SMILES | COC1=C2CCC(C)(CC(=O)CC(C)(C)O)OC2=C2C(=O)OCC2=C1 |
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InChI Identifier | InChI=1S/C19H24O6/c1-18(2,22)8-12(20)9-19(3)6-5-13-14(23-4)7-11-10-24-17(21)15(11)16(13)25-19/h7,22H,5-6,8-10H2,1-4H3 |
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InChI Key | QOILROHHBYIULD-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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