Record Information |
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Version | 1.0 |
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Created at | 2020-12-09 01:32:40 UTC |
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Updated at | 2021-07-15 16:48:02 UTC |
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NP-MRD ID | NP0004031 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | 8-Zinniol methyl ether |
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Provided By | NPAtlas |
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Description | 8-Zinniol methyl ether is found in Alternaria tagetica. It was first documented in 2002 (PMID: 11853479). Based on a literature review very few articles have been published on [3-methoxy-2-(methoxymethyl)-4-methyl-5-[(3-methylbut-2-en-1-yl)oxy]phenyl]methanol (PMID: 28267306) (PMID: 26389440) (PMID: 26389428) (PMID: 26389376). |
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Structure | [H]OC([H])([H])C1=C(C(OC([H])([H])[H])=C(C(OC([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])[H])=C1[H])C([H])([H])[H])C([H])([H])OC([H])([H])[H] InChI=1S/C16H24O4/c1-11(2)6-7-20-15-8-13(9-17)14(10-18-4)16(19-5)12(15)3/h6,8,17H,7,9-10H2,1-5H3 |
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Synonyms | Not Available |
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Chemical Formula | C16H24O4 |
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Average Mass | 280.3640 Da |
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Monoisotopic Mass | 280.16746 Da |
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IUPAC Name | [3-methoxy-2-(methoxymethyl)-4-methyl-5-[(3-methylbut-2-en-1-yl)oxy]phenyl]methanol |
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Traditional Name | [3-methoxy-2-(methoxymethyl)-4-methyl-5-[(3-methylbut-2-en-1-yl)oxy]phenyl]methanol |
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CAS Registry Number | Not Available |
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SMILES | COCC1=C(OC)C(C)=C(OCC=C(C)C)C=C1CO |
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InChI Identifier | InChI=1S/C16H24O4/c1-11(2)6-7-20-15-8-13(9-17)14(10-18-4)16(19-5)12(15)3/h6,8,17H,7,9-10H2,1-5H3 |
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InChI Key | OKIGAGNFSGVOQZ-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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