| Record Information |
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| Version | 2.0 |
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| Created at | 2021-01-06 01:04:58 UTC |
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| Updated at | 2021-07-15 17:21:26 UTC |
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| NP-MRD ID | NP0015972 |
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| Secondary Accession Numbers | None |
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| Natural Product Identification |
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| Common Name | 4S,8-dihydroxy-10-O-methyldendryol E |
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| Provided By | NPAtlas |
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| Description | 4S,8-dihydroxy-10-O-methyldendryol E is found in Talaromyces and Talaromyces islandicus. 4S,8-dihydroxy-10-O-methyldendryol E was first documented in 2017 (PMID: 27992187). Based on a literature review very few articles have been published on 4S,8-Dihydroxy-10-O-methyldendryol E. |
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| Structure | [H]OC1=C2C(=C(O[H])C(=C1[H])C([H])([H])[H])C(=O)[C@]1([H])C([H])([H])[C@]([H])(O[H])C([H])([H])[C@]([H])(O[H])[C@@]1([H])[C@]2([H])OC([H])([H])[H] InChI=1S/C16H20O6/c1-6-3-9(18)12-13(14(6)20)15(21)8-4-7(17)5-10(19)11(8)16(12)22-2/h3,7-8,10-11,16-20H,4-5H2,1-2H3/t7-,8+,10-,11-,16-/m0/s1 |
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| Synonyms | Not Available |
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| Chemical Formula | C16H20O6 |
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| Average Mass | 308.3300 Da |
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| Monoisotopic Mass | 308.12599 Da |
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| IUPAC Name | (2S,4S,4aS,9aR,10S)-2,4,5,8-tetrahydroxy-10-methoxy-7-methyl-1,2,3,4,4a,9,9a,10-octahydroanthracen-9-one |
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| Traditional Name | (5S,7S,8aR,10S,10aS)-1,4,5,7-tetrahydroxy-10-methoxy-2-methyl-6,7,8,8a,10,10a-hexahydro-5H-anthracen-9-one |
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| CAS Registry Number | Not Available |
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| SMILES | CO[C@H]1[C@@H]2[C@@H](O)C[C@@H](O)C[C@H]2C(=O)C2=C(O)C(C)=CC(O)=C12 |
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| InChI Identifier | InChI=1S/C16H20O6/c1-6-3-9(18)12-13(14(6)20)15(21)8-4-7(17)5-10(19)11(8)16(12)22-2/h3,7-8,10-11,16-20H,4-5H2,1-2H3/t7-,8+,10-,11-,16-/m0/s1 |
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| InChI Key | SLTQXDDQAOXVOE-NWXBLFQYSA-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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