Record Information |
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Version | 1.0 |
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Created at | 2020-12-09 01:33:31 UTC |
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Updated at | 2021-07-15 16:48:06 UTC |
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NP-MRD ID | NP0004052 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | MF-EA-705α |
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Provided By | NPAtlas |
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Description | MF-EA-705α is found in Streptomyces sp. It was first documented in 2001 (PMID: 11858667). Based on a literature review very few articles have been published on (3E,5E,7Z)-8-{2-[(1E)-buta-1,3-dien-1-yl]-4-methylphenyl}nona-3,5,7-trienoic acid. |
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Structure | [H]OC(=O)C([H])([H])C(\[H])=C(/[H])\C(\[H])=C(/[H])\C(\[H])=C(/C1=C([H])C([H])=C(C([H])=C1\C([H])=C(/[H])C([H])=C([H])[H])C([H])([H])[H])C([H])([H])[H] InChI=1S/C20H22O2/c1-4-5-11-18-15-16(2)13-14-19(18)17(3)10-8-6-7-9-12-20(21)22/h4-11,13-15H,1,12H2,2-3H3,(H,21,22)/b8-6+,9-7+,11-5+,17-10- |
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Synonyms | Value | Source |
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(3E,5E,7Z)-8-{2-[(1E)-buta-1,3-dien-1-yl]-4-methylphenyl}nona-3,5,7-trienoate | Generator | MF-EA-705a | Generator | MF-EA-705α | Generator | MF-EA-705beta | MeSH |
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Chemical Formula | C20H22O2 |
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Average Mass | 294.3940 Da |
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Monoisotopic Mass | 294.16198 Da |
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IUPAC Name | (3E,5E,7Z)-8-{2-[(1E)-buta-1,3-dien-1-yl]-4-methylphenyl}nona-3,5,7-trienoic acid |
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Traditional Name | (3E,5E,7Z)-8-{2-[(1E)-buta-1,3-dien-1-yl]-4-methylphenyl}nona-3,5,7-trienoic acid |
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CAS Registry Number | Not Available |
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SMILES | C\C(=C\C=C\C=C\CC(O)=O)C1=C(\C=C\C=C)C=C(C)C=C1 |
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InChI Identifier | InChI=1S/C20H22O2/c1-4-5-11-18-15-16(2)13-14-19(18)17(3)10-8-6-7-9-12-20(21)22/h4-11,13-15H,1,12H2,2-3H3,(H,21,22)/b8-6+,9-7+,11-5+,17-10- |
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InChI Key | UZABAGXNNGEDIF-FCPMNKIOSA-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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