Record Information |
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Version | 2.0 |
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Created at | 2021-01-06 01:23:13 UTC |
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Updated at | 2021-07-15 17:22:36 UTC |
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NP-MRD ID | NP0016403 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | Abyssomicin Q |
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Provided By | NPAtlas |
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Description | Abyssomicin Q is found in Streptomyces sp. LC-6-2. It was first documented in 2017 (PMID: 28358212). |
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Structure | [H]O\C1=C2/C(=O)O[C@]34C([H])([H])[C@]([H])(C([H])([H])[H])[C@@]5(O[C@]23[C@]([H])(C(=O)[C@](O[H])(C([H])([H])[H])C([H])([H])[C@]1([H])C([H])([H])[H])[C@@]([H])(O[H])[C@@]4([H])[C@]5([H])O[H])C([H])([H])[H] InChI=1S/C20H26O8/c1-7-5-17(3,26)14(23)10-13(22)9-15(24)18(4)8(2)6-19(9)20(10,28-18)11(12(7)21)16(25)27-19/h7-10,13,15,21-22,24,26H,5-6H2,1-4H3/b12-11+/t7-,8-,9-,10-,13-,15-,17-,18-,19-,20+/m0/s1 |
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Synonyms | Not Available |
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Chemical Formula | C20H26O8 |
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Average Mass | 394.4200 Da |
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Monoisotopic Mass | 394.16277 Da |
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IUPAC Name | (1S,2S,3S,4S,5R,7S,9S,14S,16S,18R)-2,4,7,10-tetrahydroxy-1,7,9,16-tetramethyl-13,17-dioxapentacyclo[9.5.2.0^{3,14}.0^{5,18}.0^{14,18}]octadec-10-ene-6,12-dione |
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Traditional Name | (1S,2S,3S,4S,5R,7S,9S,14S,16S,18R)-2,4,7,10-tetrahydroxy-1,7,9,16-tetramethyl-13,17-dioxapentacyclo[9.5.2.0^{3,14}.0^{5,18}.0^{14,18}]octadec-10-ene-6,12-dione |
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CAS Registry Number | Not Available |
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SMILES | C[C@H]1C[C@]23OC(=O)\C4=C(O)\[C@@H](C)C[C@](C)(O)C(=O)[C@@H]5[C@@H](O)[C@H]2[C@H](O)[C@@]1(C)O[C@@]345 |
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InChI Identifier | InChI=1S/C20H26O8/c1-7-5-17(3,26)14(23)10-13(22)9-15(24)18(4)8(2)6-19(9)20(10,28-18)11(12(7)21)16(25)27-19/h7-10,13,15,21-22,24,26H,5-6H2,1-4H3/b12-11+/t7-,8-,9-,10-,13-,15-,17-,18-,19-,20+/m0/s1 |
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InChI Key | MVFRGMBYWIQNOX-VEPGFSASSA-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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