Record Information |
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Version | 2.0 |
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Created at | 2021-01-06 06:16:11 UTC |
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Updated at | 2021-07-15 17:35:00 UTC |
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NP-MRD ID | NP0020940 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | Styrolide A |
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Provided By | NPAtlas |
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Description | Styrolide A is found in Pseudomonas and Pseudomonas fluorescens. Styrolide A was first documented in 2020 (PMID: 31880848). Based on a literature review very few articles have been published on (5R)-3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-methyl-2,5-dihydrofuran-2-one. |
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Structure | [H]OC1=C([H])C([H])=C(\C([H])=C(/[H])C2=C([H])[C@]([H])(OC2=O)C([H])([H])[H])C([H])=C1[H] InChI=1S/C13H12O3/c1-9-8-11(13(15)16-9)5-2-10-3-6-12(14)7-4-10/h2-9,14H,1H3/b5-2+/t9-/m1/s1 |
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Synonyms | Not Available |
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Chemical Formula | C13H12O3 |
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Average Mass | 216.2360 Da |
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Monoisotopic Mass | 216.07864 Da |
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IUPAC Name | (5R)-3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-methyl-2,5-dihydrofuran-2-one |
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Traditional Name | (5R)-3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-methyl-5H-furan-2-one |
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CAS Registry Number | Not Available |
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SMILES | C[C@H]1OC(=O)C(\C=C\C2=CC=C(O)C=C2)=C1 |
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InChI Identifier | InChI=1S/C13H12O3/c1-9-8-11(13(15)16-9)5-2-10-3-6-12(14)7-4-10/h2-9,14H,1H3/b5-2+/t9-/m1/s1 |
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InChI Key | HWHLENXKTHBBOW-OSOUNJMWSA-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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