Record Information |
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Version | 1.0 |
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Created at | 2020-12-09 04:00:05 UTC |
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Updated at | 2021-07-15 16:56:42 UTC |
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NP-MRD ID | NP0007118 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | ( - )-1-hydroxybyssochlamic acid |
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Provided By | NPAtlas |
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Description | ( - )-1-hydroxybyssochlamic acid is found in Unknown-fungus sp. It was first documented in 2007 (PMID: 17566923). Based on a literature review very few articles have been published on ( - )-1-hydroxybyssochlamic acid. |
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Structure | [H]O[C@]1([H])C2=C(C(=O)OC2=O)[C@]([H])(C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])C2=C(C(=O)OC2=O)C([H])([H])[C@]1([H])C([H])([H])C([H])([H])[H] InChI=1S/C18H20O7/c1-3-5-9-7-11-10(15(20)24-16(11)21)6-8(4-2)14(19)13-12(9)17(22)25-18(13)23/h8-9,14,19H,3-7H2,1-2H3/t8-,9+,14-/m0/s1 |
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Synonyms | Value | Source |
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( - )-1-Hydroxybyssochlamate | Generator |
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Chemical Formula | C18H20O7 |
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Average Mass | 348.3510 Da |
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Monoisotopic Mass | 348.12090 Da |
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IUPAC Name | (2R,10S,11S)-10-ethyl-11-hydroxy-2-propyl-6,14-dioxatricyclo[10.3.0.0^{4,8}]pentadeca-1(12),4(8)-diene-5,7,13,15-tetrone |
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Traditional Name | (2R,10S,11S)-10-ethyl-11-hydroxy-2-propyl-6,14-dioxatricyclo[10.3.0.0^{4,8}]pentadeca-1(12),4(8)-diene-5,7,13,15-tetrone |
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CAS Registry Number | Not Available |
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SMILES | CCC[C@@H]1CC2=C(C[C@H](CC)[C@H](O)C3=C1C(=O)OC3=O)C(=O)OC2=O |
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InChI Identifier | InChI=1S/C18H20O7/c1-3-5-9-7-11-10(15(20)24-16(11)21)6-8(4-2)14(19)13-12(9)17(22)25-18(13)23/h8-9,14,19H,3-7H2,1-2H3/t8-,9+,14-/m0/s1 |
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InChI Key | CSZIQSKJVWELPK-QIBSRJKCSA-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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