Record Information |
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Version | 1.0 |
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Created at | 2020-12-09 04:27:10 UTC |
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Updated at | 2021-07-15 16:58:06 UTC |
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NP-MRD ID | NP0007624 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | Kasanosin B |
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Provided By | NPAtlas |
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Description | Kasanosin B is found in Talaromyces sp. It was first documented in 2008 (PMID: 18308572). Based on a literature review very few articles have been published on (6S,7S)-6-hydroxy-3-[(1E)-3-hydroxyprop-1-en-1-yl]-7-methyl-8-oxo-5,6,7,8-tetrahydro-1H-isochromen-7-yl 2-hydroxy-4-methoxy-6-methylbenzoate. |
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Structure | [H]OC1=C([H])C(OC([H])([H])[H])=C([H])C(=C1C(=O)O[C@@]1(C(=O)C2=C(C([H])=C(OC2([H])[H])C(\[H])=C(/[H])C([H])([H])O[H])C([H])([H])[C@]1([H])O[H])C([H])([H])[H])C([H])([H])[H] InChI=1S/C22H24O8/c1-12-7-15(28-3)10-17(24)19(12)21(27)30-22(2)18(25)9-13-8-14(5-4-6-23)29-11-16(13)20(22)26/h4-5,7-8,10,18,23-25H,6,9,11H2,1-3H3/b5-4+/t18-,22-/m0/s1 |
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Synonyms | Value | Source |
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(6S,7S)-6-Hydroxy-3-[(1E)-3-hydroxyprop-1-en-1-yl]-7-methyl-8-oxo-5,6,7,8-tetrahydro-1H-isochromen-7-yl 2-hydroxy-4-methoxy-6-methylbenzoic acid | Generator |
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Chemical Formula | C22H24O8 |
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Average Mass | 416.4260 Da |
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Monoisotopic Mass | 416.14712 Da |
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IUPAC Name | (6S,7S)-6-hydroxy-3-[(1E)-3-hydroxyprop-1-en-1-yl]-7-methyl-8-oxo-5,6,7,8-tetrahydro-1H-isochromen-7-yl 2-hydroxy-4-methoxy-6-methylbenzoate |
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Traditional Name | (6S,7S)-6-hydroxy-3-[(1E)-3-hydroxyprop-1-en-1-yl]-7-methyl-8-oxo-5,6-dihydro-1H-isochromen-7-yl 2-hydroxy-4-methoxy-6-methylbenzoate |
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CAS Registry Number | Not Available |
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SMILES | COC1=CC(O)=C(C(=O)O[C@@]2(C)[C@@H](O)CC3=C(COC(\C=C\CO)=C3)C2=O)C(C)=C1 |
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InChI Identifier | InChI=1S/C22H24O8/c1-12-7-15(28-3)10-17(24)19(12)21(27)30-22(2)18(25)9-13-8-14(5-4-6-23)29-11-16(13)20(22)26/h4-5,7-8,10,18,23-25H,6,9,11H2,1-3H3/b5-4+/t18-,22-/m0/s1 |
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InChI Key | RXZVFRWOOCCTMJ-NQQCORKOSA-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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Species Where Detected | |
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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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