Record Information |
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Version | 1.0 |
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Created at | 2020-12-09 01:32:18 UTC |
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Updated at | 2021-07-15 16:48:01 UTC |
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NP-MRD ID | NP0004022 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | 6-methyl-2,4-dihydroxyphenyl 4-O-methyl-beta-D-glucopyranoside |
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Provided By | NPAtlas |
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Description | 6-methyl-2,4-dihydroxyphenyl 4-O-methyl-beta-D-glucopyranoside is found in Beauveria amorpha. It was first documented in 2002 (PMID: 11842330). Based on a literature review very few articles have been published on (2S,3R,4R,5S,6R)-2-(2,4-dihydroxy-6-methylphenoxy)-6-(hydroxymethyl)-5-methoxyoxane-3,4-diol. |
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Structure | [H]OC1=C([H])C(=C(O[C@]2([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(OC([H])([H])[H])[C@]([H])(O[H])[C@@]2([H])O[H])C(O[H])=C1[H])C([H])([H])[H] InChI=1S/C14H20O8/c1-6-3-7(16)4-8(17)12(6)22-14-11(19)10(18)13(20-2)9(5-15)21-14/h3-4,9-11,13-19H,5H2,1-2H3/t9-,10-,11-,13-,14+/m1/s1 |
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Synonyms | Value | Source |
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2,4-Dihydroxy-6-methylphenyl 4-O-methyl-b-D-glucopyranoside | Generator | 2,4-Dihydroxy-6-methylphenyl 4-O-methyl-β-D-glucopyranoside | Generator |
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Chemical Formula | C14H20O8 |
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Average Mass | 316.3060 Da |
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Monoisotopic Mass | 316.11582 Da |
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IUPAC Name | (2S,3R,4R,5S,6R)-2-(2,4-dihydroxy-6-methylphenoxy)-6-(hydroxymethyl)-5-methoxyoxane-3,4-diol |
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Traditional Name | (2S,3R,4R,5S,6R)-2-(2,4-dihydroxy-6-methylphenoxy)-6-(hydroxymethyl)-5-methoxyoxane-3,4-diol |
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CAS Registry Number | Not Available |
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SMILES | CO[C@@H]1[C@@H](CO)O[C@@H](OC2=C(O)C=C(O)C=C2C)[C@H](O)[C@H]1O |
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InChI Identifier | InChI=1S/C14H20O8/c1-6-3-7(16)4-8(17)12(6)22-14-11(19)10(18)13(20-2)9(5-15)21-14/h3-4,9-11,13-19H,5H2,1-2H3/t9-,10-,11-,13-,14+/m1/s1 |
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InChI Key | DMFUBFCYYQLVDQ-XMKDAVRRSA-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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