| Record Information |
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| Version | 2.0 |
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| Created at | 2021-01-05 20:36:03 UTC |
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| Updated at | 2021-07-15 17:06:56 UTC |
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| NP-MRD ID | NP0010739 |
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| Secondary Accession Numbers | None |
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| Natural Product Identification |
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| Common Name | Kimbeamide B |
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| Provided By | NPAtlas |
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| Description | Kimbeamide B is found in Symploca. Based on a literature review very few articles have been published on Kimbeamide B. |
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| Structure | [H]N(C(=O)C([H])=C([H])C(\[H])=C(\[H])C([H])([H])C(=C(/[H])Cl)\C([H])([H])[H])[C@]([H])(C(\[H])=C(\[H])C([H])([H])C([H])([H])C(\[H])=C(/[H])Cl)C([H])([H])[H] InChI=1S/C17H23Cl2NO/c1-15(14-19)10-6-5-8-12-17(21)20-16(2)11-7-3-4-9-13-18/h5-9,11-14,16H,3-4,10H2,1-2H3,(H,20,21)/b6-5-,11-7-,12-8+,13-9+,15-14+/t16-/m0/s1 |
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| Synonyms | | Value | Source |
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| (2E,4Z,7E)-8-Chloro-N-[(2S,3Z,7E)-8-chloroocta-3,7-dien-2-yl]-7-methylocta-2,4,7-trienimidate | Generator |
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| Chemical Formula | C17H23Cl2NO |
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| Average Mass | 328.2800 Da |
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| Monoisotopic Mass | 327.11567 Da |
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| IUPAC Name | (4Z,7E)-8-chloro-N-[(3Z,7E)-8-chloroocta-3,7-dien-2-yl]-7-methylocta-2,4,7-trienamide |
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| Traditional Name | (4Z,7E)-8-chloro-N-[(3Z,7E)-8-chloroocta-3,7-dien-2-yl]-7-methylocta-2,4,7-trienamide |
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| CAS Registry Number | Not Available |
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| SMILES | C[C@H](NC(=O)\C=C\C=C/C\C(C)=C\Cl)\C=C/CC\C=C\Cl |
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| InChI Identifier | InChI=1S/C17H23Cl2NO/c1-15(14-19)10-6-5-8-12-17(21)20-16(2)11-7-3-4-9-13-18/h5-9,11-14,16H,3-4,10H2,1-2H3,(H,20,21)/b6-5-,11-7-,12-8+,13-9+,15-14+/t16-/m0/s1 |
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| InChI Key | VOWNHWSVEUWZQX-SLMJHOPOSA-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 | | Species Name | Source | Reference |
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| Symploca | NPAtlas | |
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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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