Record Information |
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Version | 1.0 |
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Created at | 2021-01-05 19:36:05 UTC |
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Updated at | 2021-07-15 17:04:34 UTC |
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NP-MRD ID | NP0009898 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | methyl 2-hydroxy-4-(2-hydroy-3-methoxy-5-methylphenoxy)-6-methylbenzoate |
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Provided By | NPAtlas |
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Description | methyl 2-hydroxy-4-(2-hydroy-3-methoxy-5-methylphenoxy)-6-methylbenzoate is found in Streptomyces sp. It was first documented in 2011 (PMID: 21468081). Based on a literature review very few articles have been published on methyl 2-hydroxy-4-(2-hydroxy-3-methoxy-5-methylphenoxy)-6-methylbenzoate. |
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Structure | [H]OC1=C([H])C(OC2=C([H])C(=C([H])C(OC([H])([H])[H])=C2O[H])C([H])([H])[H])=C([H])C(=C1C(=O)OC([H])([H])[H])C([H])([H])[H] InChI=1S/C17H18O6/c1-9-5-13(21-3)16(19)14(6-9)23-11-7-10(2)15(12(18)8-11)17(20)22-4/h5-8,18-19H,1-4H3 |
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Synonyms | Value | Source |
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Methyl 2-hydroxy-4-(2-hydroxy-3-methoxy-5-methylphenoxy)-6-methylbenzoic acid | Generator |
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Chemical Formula | C17H18O6 |
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Average Mass | 318.3250 Da |
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Monoisotopic Mass | 318.11034 Da |
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IUPAC Name | methyl 2-hydroxy-4-(2-hydroxy-3-methoxy-5-methylphenoxy)-6-methylbenzoate |
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Traditional Name | methyl 2-hydroxy-4-(2-hydroxy-3-methoxy-5-methylphenoxy)-6-methylbenzoate |
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CAS Registry Number | Not Available |
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SMILES | COC(=O)C1=C(O)C=C(OC2=C(O)C(OC)=CC(C)=C2)C=C1C |
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InChI Identifier | InChI=1S/C17H18O6/c1-9-5-13(21-3)16(19)14(6-9)23-11-7-10(2)15(12(18)8-11)17(20)22-4/h5-8,18-19H,1-4H3 |
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InChI Key | CQSYTQSDCHFACG-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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