| Record Information |
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| Version | 2.0 |
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| Created at | 2021-01-06 00:56:48 UTC |
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| Updated at | 2021-07-15 17:20:54 UTC |
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| NP-MRD ID | NP0015774 |
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| Secondary Accession Numbers | None |
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| Natural Product Identification |
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| Common Name | Flammuspirone I |
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| Provided By | NPAtlas |
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| Description | Flammuspirone I is found in Flammulina velutipes. Based on a literature review very few articles have been published on (5R,6R,7R,9S,10S)-6,9-dihydroxy-7-(2-hydroxypropan-2-yl)-3,10-dimethylspiro[4.5]Dec-3-en-2-one. |
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| Structure | [H]O[C@@]1([H])C([H])([H])[C@]([H])([C@@]([H])(O[H])[C@]2(C([H])=C(C(=O)C2([H])[H])C([H])([H])[H])[C@]1([H])C([H])([H])[H])C(O[H])(C([H])([H])[H])C([H])([H])[H] InChI=1S/C15H24O4/c1-8-6-15(7-12(8)17)9(2)11(16)5-10(13(15)18)14(3,4)19/h6,9-11,13,16,18-19H,5,7H2,1-4H3/t9-,10-,11+,13-,15+/m1/s1 |
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| Synonyms | Not Available |
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| Chemical Formula | C15H24O4 |
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| Average Mass | 268.3530 Da |
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| Monoisotopic Mass | 268.16746 Da |
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| IUPAC Name | (5R,6R,7R,9S,10S)-6,9-dihydroxy-7-(2-hydroxypropan-2-yl)-3,10-dimethylspiro[4.5]dec-3-en-2-one |
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| Traditional Name | (5R,6R,7R,9S,10S)-6,9-dihydroxy-7-(2-hydroxypropan-2-yl)-3,10-dimethylspiro[4.5]dec-3-en-2-one |
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| CAS Registry Number | Not Available |
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| SMILES | C[C@@H]1[C@@H](O)C[C@H]([C@@H](O)[C@@]11CC(=O)C(C)=C1)C(C)(C)O |
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| InChI Identifier | InChI=1S/C15H24O4/c1-8-6-15(7-12(8)17)9(2)11(16)5-10(13(15)18)14(3,4)19/h6,9-11,13,16,18-19H,5,7H2,1-4H3/t9-,10-,11+,13-,15+/m1/s1 |
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| InChI Key | WTTNXIZAGOHTSS-CJWQTGLVSA-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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