Record Information |
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Version | 2.0 |
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Created at | 2022-12-23 08:34:31 UTC |
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Updated at | 2024-09-03 04:15:37 UTC |
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NP-MRD ID | NP0331384 |
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Natural Product DOI | https://doi.org/10.57994/0332 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | Tongalide C |
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Description | Tongalide C was first documented in 2022 (PMID: 35771948). |
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Structure | CCC[C@@H](O)C1=C(Br)C(O)(CI)OC1=O InChI=1S/C9H12BrIO4/c1-2-3-5(12)6-7(10)9(14,4-11)15-8(6)13/h5,12,14H,2-4H2,1H3/t5-,9?/m1/s1 |
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Synonyms | Not Available |
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Chemical Formula | C9H12BrIO4 |
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Average Mass | 390.9990 Da |
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Monoisotopic Mass | 389.89637 Da |
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IUPAC Name | Not Available |
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Traditional Name | Not Available |
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CAS Registry Number | Not Available |
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SMILES | CCC[C@@H](O)C1=C(Br)C(O)(CI)OC1=O |
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InChI Identifier | InChI=1S/C9H12BrIO4/c1-2-3-5(12)6-7(10)9(14,4-11)15-8(6)13/h5,12,14H,2-4H2,1H3/t5-,9?/m1/s1 |
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InChI Key | YWGQWCLYKSDOEN-RRPHZQQHSA-N |
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Experimental Spectra |
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| Spectrum Type | Description | Depositor Email | Depositor Organization | Depositor | Deposition Date | View |
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HSQC NMR | [1H, 13C] NMR Spectrum (2D, 500 MHz, CD3OD, experimental) | joe_bracegirdle@live.com | Not Available | Not Available | 2022-12-23 | View Spectrum | HMBC NMR | [1H, 13C] NMR Spectrum (2D, 500 MHz, CD3OD, experimental) | joe_bracegirdle@live.com | Not Available | Not Available | 2022-12-23 | View Spectrum | COSY NMR | [1H, 1H] NMR Spectrum (2D, 500 MHz, CD3OD, experimental) | joe_bracegirdle@live.com | Not Available | Not Available | 2022-12-23 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 500 MHz, CD3OD, experimental) | joe_bracegirdle@live.com | Not Available | Not Available | 2022-12-23 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 151 MHz, CD3OD, experimental) | joe_bracegirdle@live.com | Not Available | Not Available | 2022-12-23 | View Spectrum |
| Predicted Spectra |
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| Spectrum Type | Description | Depositor ID | Depositor Organization | Depositor | Deposition Date | View |
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| 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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sp. | | |
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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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