Record Information |
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Version | 1.0 |
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Created at | 2020-12-09 01:36:19 UTC |
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Updated at | 2021-07-15 16:48:15 UTC |
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NP-MRD ID | NP0004106 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | 5-(E)-But-2-enylidene-3-(E)-propenyl-5H-furan-2-one |
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Provided By | NPAtlas |
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Description | 5-(E)-But-2-enylidene-3-(E)-propenyl-5H-furan-2-one is found in Galiella rufa. It was first documented in 2002 (PMID: 11918063). Based on a literature review very few articles have been published on (5E)-5-[(2E)-but-2-en-1-ylidene]-3-[(1E)-prop-1-en-1-yl]-2,5-dihydrofuran-2-one. |
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Structure | [H]\C(\C(\[H])=C1\OC(=O)C(\C([H])=C(/[H])C([H])([H])[H])=C1[H])=C(\[H])C([H])([H])[H] InChI=1S/C11H12O2/c1-3-5-7-10-8-9(6-4-2)11(12)13-10/h3-8H,1-2H3/b5-3+,6-4+,10-7+ |
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Synonyms | Not Available |
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Chemical Formula | C11H12O2 |
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Average Mass | 176.2150 Da |
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Monoisotopic Mass | 176.08373 Da |
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IUPAC Name | (5E)-5-[(2E)-but-2-en-1-ylidene]-3-[(1E)-prop-1-en-1-yl]-2,5-dihydrofuran-2-one |
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Traditional Name | (5E)-5-[(2E)-but-2-en-1-ylidene]-3-[(1E)-prop-1-en-1-yl]furan-2-one |
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CAS Registry Number | Not Available |
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SMILES | C\C=C\C=C1\OC(=O)C(\C=C\C)=C1 |
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InChI Identifier | InChI=1S/C11H12O2/c1-3-5-7-10-8-9(6-4-2)11(12)13-10/h3-8H,1-2H3/b5-3+,6-4+,10-7+ |
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InChI Key | UTMKJYVBEKRSSY-FQXJPFFWSA-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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