Record Information |
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Version | 1.0 |
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Created at | 2021-01-05 22:52:24 UTC |
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Updated at | 2021-07-15 17:14:46 UTC |
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NP-MRD ID | NP0013543 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | (2')-(Z)-5-(3'-hydroxymethyl-3'-methylallyloxy)-7-methoxy-6-methylphthalide |
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Provided By | NPAtlas |
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Description | (2')-(Z)-5-(3'-hydroxymethyl-3'-methylallyloxy)-7-methoxy-6-methylphthalide is found in Albatrellus confluens. It was first documented in 2012 (PMID: 34383397). Based on a literature review very few articles have been published on (2')-(Z)-5-(3'-hydroxymethyl-3'-methylallyloxy)-7-methoxy-6-methylphthalide (PMID: 25465923) (PMID: 34383398) (PMID: 34383396) (PMID: 34384147). |
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Structure | [H]OC([H])([H])C(=C(\[H])C([H])([H])OC1=C([H])C2=C(C(=O)OC2([H])[H])C(OC([H])([H])[H])=C1C([H])([H])[H])\C([H])([H])[H] InChI=1S/C15H18O5/c1-9(7-16)4-5-19-12-6-11-8-20-15(17)13(11)14(18-3)10(12)2/h4,6,16H,5,7-8H2,1-3H3/b9-4- |
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Synonyms | Not Available |
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Chemical Formula | C15H18O5 |
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Average Mass | 278.3040 Da |
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Monoisotopic Mass | 278.11542 Da |
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IUPAC Name | 5-{[(2Z)-4-hydroxy-3-methylbut-2-en-1-yl]oxy}-7-methoxy-6-methyl-1,3-dihydro-2-benzofuran-1-one |
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Traditional Name | 5-{[(2Z)-4-hydroxy-3-methylbut-2-en-1-yl]oxy}-7-methoxy-6-methyl-3H-2-benzofuran-1-one |
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CAS Registry Number | Not Available |
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SMILES | COC1=C2C(=O)OCC2=CC(OC\C=C(\C)CO)=C1C |
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InChI Identifier | InChI=1S/C15H18O5/c1-9(7-16)4-5-19-12-6-11-8-20-15(17)13(11)14(18-3)10(12)2/h4,6,16H,5,7-8H2,1-3H3/b9-4- |
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InChI Key | AKQXDTZFGGTDHR-WTKPLQERSA-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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