Record Information |
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Version | 2.0 |
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Created at | 2022-12-22 04:40:45 UTC |
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Updated at | 2024-09-03 04:15:06 UTC |
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NP-MRD ID | NP0331255 |
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Natural Product DOI | https://doi.org/10.57994/0153 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | isocyclolactomycin A |
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Description | Not Available |
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Structure | CC[C@H]1C=CC(=O)O[C@H]1\C=C\[C@]1(O)CC(=O)O[C@@H]1C[C@@H](O)\C=C/C=C\C1CCCCC1 InChI=1S/C25H34O6/c1-2-19-12-13-23(27)30-21(19)14-15-25(29)17-24(28)31-22(25)16-20(26)11-7-6-10-18-8-4-3-5-9-18/h6-7,10-15,18-22,26,29H,2-5,8-9,16-17H2,1H3/b10-6-,11-7-,15-14+/t19-,20-,21-,22+,25-/m0/s1 |
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Synonyms | Not Available |
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Chemical Formula | C25H34O6 |
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Average Mass | 430.5410 Da |
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Monoisotopic Mass | 430.23554 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 | CC[C@H]1C=CC(=O)O[C@H]1\C=C\[C@]1(O)CC(=O)O[C@@H]1C[C@@H](O)\C=C/C=C\C1CCCCC1 |
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InChI Identifier | InChI=1S/C25H34O6/c1-2-19-12-13-23(27)30-21(19)14-15-25(29)17-24(28)31-22(25)16-20(26)11-7-6-10-18-8-4-3-5-9-18/h6-7,10-15,18-22,26,29H,2-5,8-9,16-17H2,1H3/b10-6-,11-7-,15-14+/t19-,20-,21-,22+,25-/m0/s1 |
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InChI Key | MYPCBXSGYUKUGR-ZMLGONOUSA-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, 600 MHz, CD3OD, experimental) | taizong.wu@uq.edu.au | Not Available | Not Available | 2022-12-22 | View Spectrum | HMBC NMR | [1H, 13C] NMR Spectrum (2D, 600 MHz, CD3OD, experimental) | taizong.wu@uq.edu.au | Not Available | Not Available | 2022-12-22 | View Spectrum | COSY NMR | [1H, 1H] NMR Spectrum (2D, 600 MHz, CD3OD, experimental) | taizong.wu@uq.edu.au | Not Available | Not Available | 2022-12-22 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, CD3OD, experimental) | taizong.wu@uq.edu.au | Not Available | Not Available | 2022-12-22 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 151 MHz, CD3OD, experimental) | taizong.wu@uq.edu.au | Not Available | Not Available | 2022-12-22 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, CD3OD, experimental) | taizong.wu@uq.edu.au | Not Available | Not Available | 2022-12-22 | 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 | 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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