Record Information |
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Version | 1.0 |
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Created at | 2022-10-24 20:17:38 UTC |
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Updated at | 2024-04-19 09:37:43 UTC |
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NP-MRD ID | NP0331094 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | Symphyocladin L |
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Description | Not Available |
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Structure | COC(=O)\C=C(/C(CC1=C(Br)C(O)=C(O)C(Br)=C1Br)C(=O)OC)C(O)=O InChI=1S/C15H13Br3O8/c1-25-8(19)4-5(14(22)23)6(15(24)26-2)3-7-9(16)11(18)13(21)12(20)10(7)17/h4,6,20-21H,3H2,1-2H3,(H,22,23)/b5-4+ |
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Synonyms | Not Available |
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Chemical Formula | C23H28N2O4 |
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Average Mass | 396.4870 Da |
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Monoisotopic Mass | 396.20491 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 | CO\C=C(/[C@H]1C[C@@H]2N(CCC3=C2NC2=CC=CC(OC)=C32)C[C@@H]1C=C)C(=O)OC |
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InChI Identifier | InChI=1S/C23H28N2O4/c1-5-14-12-25-10-9-15-21-18(7-6-8-20(21)28-3)24-22(15)19(25)11-16(14)17(13-27-2)23(26)29-4/h5-8,13-14,16,19,24H,1,9-12H2,2-4H3/b17-13+/t14-,16-,19-/m0/s1 |
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InChI Key | JGZKIGWXPPFMRG-CYSPOEIOSA-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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NOESY NMR | [1H, 1H] NMR Spectrum (2D, 600 MHz, C3D6O, experimental) | r.capon@imb.uq.edu.au | Not Available | Not Available | 2022-12-22 | View Spectrum | HMBC NMR | [1H, 13C] NMR Spectrum (2D, 600 MHz, C3D6O, experimental) | r.capon@imb.uq.edu.au | Not Available | Not Available | 2022-12-22 | View Spectrum | HSQC NMR | [1H, 13C] NMR Spectrum (2D, 600 MHz, C3D6O, experimental) | r.capon@imb.uq.edu.au | Not Available | Not Available | 2022-12-22 | View Spectrum | COSY NMR | [1H, 1H] NMR Spectrum (2D, 600 MHz, C3D6O, experimental) | r.capon@imb.uq.edu.au | Not Available | Not Available | 2022-12-22 | View Spectrum | 1D NMR | [13C, ] NMR Spectrum (2D, 151 MHz, C3D6O, experimental) | r.capon@imb.uq.edu.au | Not Available | Not Available | 2022-12-22 | View Spectrum | 1D NMR | [1H, ] NMR Spectrum (2D, 600 MHz, C3D6O, experimental) | r.capon@imb.uq.edu.au | Not Available | Not Available | 2022-12-22 | View Spectrum | 1D NMR | [1H, ] NMR Spectrum (2D, 600 MHz, C3D6O, experimental) | r.capon@imb.uq.edu.au | Not Available | Not Available | 2022-12-22 | View Spectrum |
| Predicted Spectra |
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| Not Available | Chemical Shift Submissions |
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| Not Available | Species |
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Species of Origin | Not Available |
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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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