| Record Information |
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| Version | 2.0 |
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| Created at | 2021-01-05 20:36:31 UTC |
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| Updated at | 2021-07-15 17:06:59 UTC |
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| NP-MRD ID | NP0010752 |
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| Secondary Accession Numbers | None |
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| Natural Product Identification |
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| Common Name | Ammosamide D |
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| Provided By | NPAtlas |
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| Description | Ammosamide D is found in Streptomyces variabilis. Ammosamide D was first documented in 2012 (PMID: 22515470). Based on a literature review very few articles have been published on Ammosamide D. |
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| Structure | [H]N([H])C(=O)C1=NC2=C(C(=O)C(=O)C(Cl)=C2N([H])[H])C(=C1[H])C(=O)N([H])C([H])([H])[H] InChI=1S/C12H9ClN4O4/c1-16-12(21)3-2-4(11(15)20)17-8-5(3)9(18)10(19)6(13)7(8)14/h2H,14H2,1H3,(H2,15,20)(H,16,21) |
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| Synonyms | | Value | Source |
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| 8-Amino-2-carbamoyl-7-chloro-N-methyl-5,6-dioxo-5,6-dihydroquinoline-4-carboximidate | Generator |
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| Chemical Formula | C12H9ClN4O4 |
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| Average Mass | 308.6800 Da |
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| Monoisotopic Mass | 308.03123 Da |
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| IUPAC Name | 8-amino-7-chloro-N4-methyl-5,6-dioxo-5,6-dihydroquinoline-2,4-dicarboxamide |
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| Traditional Name | 8-amino-7-chloro-N4-methyl-5,6-dioxoquinoline-2,4-dicarboxamide |
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| CAS Registry Number | Not Available |
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| SMILES | CNC(=O)C1=CC(=NC2=C1C(=O)C(=O)C(Cl)=C2N)C(N)=O |
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| InChI Identifier | InChI=1S/C12H9ClN4O4/c1-16-12(21)3-2-4(11(15)20)17-8-5(3)9(18)10(19)6(13)7(8)14/h2H,14H2,1H3,(H2,15,20)(H,16,21) |
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| InChI Key | ORFUYWHCDIKVCN-UHFFFAOYSA-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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