Record Information |
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Version | 1.0 |
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Created at | 2021-01-05 22:03:19 UTC |
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Updated at | 2021-07-15 17:12:39 UTC |
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NP-MRD ID | NP0012766 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | Carpatamide C |
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Provided By | NPAtlas |
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Description | Carpatamide C is found in Streptomyces sp. It was first documented in 2014 (PMID: 24754815). Based on a literature review very few articles have been published on 3-(4-hydroxy-3-{[(2E,4E)-1-hydroxy-7-methylocta-2,4-dien-1-ylidene]amino}phenyl)propanoic acid. |
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Structure | [H]OC(=O)C([H])([H])C([H])([H])C1=C([H])C([H])=C(O[H])C(N([H])C(=O)C(\[H])=C(/[H])C([H])=C([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])=C1[H] InChI=1S/C18H23NO4/c1-13(2)6-4-3-5-7-17(21)19-15-12-14(8-10-16(15)20)9-11-18(22)23/h3-5,7-8,10,12-13,20H,6,9,11H2,1-2H3,(H,19,21)(H,22,23)/b4-3?,7-5+ |
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Synonyms | Value | Source |
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3-(4-Hydroxy-3-{[(2E,4E)-1-hydroxy-7-methylocta-2,4-dien-1-ylidene]amino}phenyl)propanoate | Generator |
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Chemical Formula | C18H23NO4 |
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Average Mass | 317.3850 Da |
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Monoisotopic Mass | 317.16271 Da |
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IUPAC Name | 3-{4-hydroxy-3-[(2E)-7-methylocta-2,4-dienamido]phenyl}propanoic acid |
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Traditional Name | 3-{4-hydroxy-3-[(2E)-7-methylocta-2,4-dienamido]phenyl}propanoic acid |
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CAS Registry Number | Not Available |
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SMILES | CC(C)C\C=C\C=C\C(=O)NC1=C(O)C=CC(CCC(O)=O)=C1 |
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InChI Identifier | InChI=1S/C18H23NO4/c1-13(2)6-4-3-5-7-17(21)19-15-12-14(8-10-16(15)20)9-11-18(22)23/h3-5,7-8,10,12-13,20H,6,9,11H2,1-2H3,(H,19,21)(H,22,23)/b4-3+,7-5+ |
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InChI Key | HSOHFIDBYOOETD-BDWKERMESA-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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