Record Information |
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Version | 2.0 |
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Created at | 2022-12-23 12:04:20 UTC |
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Updated at | 2024-09-03 04:15:38 UTC |
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NP-MRD ID | NP0331389 |
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Natural Product DOI | https://doi.org/10.57994/0338 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | Glenthmycin J |
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Description | Glenthmycin J was first documented in 2022 (PMID: 35640100). |
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Structure | [H][C@@]12C=C(C)[C@H](C)C[C@]11OC(=O)C(=C1O)C(=O)[C@@]1(C)[C@]3([H])[C@@H](C)CC[C@H](O)[C@@]3([H])C=C(C)[C@@]1([H])C(C)=CCC\C(C)=C/2 InChI=1S/C33H44O5/c1-17-9-8-10-18(2)27-21(5)15-24-25(34)12-11-19(3)28(24)32(27,7)29(35)26-30(36)33(38-31(26)37)16-22(6)20(4)14-23(33)13-17/h10,13-15,19,22-25,27-28,34,36H,8-9,11-12,16H2,1-7H3/b17-13-,18-10-/t19-,22+,23+,24+,25-,27+,28+,32+,33-/m0/s1 |
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Synonyms | Not Available |
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Chemical Formula | C33H44O5 |
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Average Mass | 520.7100 Da |
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Monoisotopic Mass | 520.31887 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 | [H][C@@]12C=C(C)[C@H](C)C[C@]11OC(=O)C(=C1O)C(=O)[C@@]1(C)[C@]3([H])[C@@H](C)CC[C@H](O)[C@@]3([H])C=C(C)[C@@]1([H])C(C)=CCC\C(C)=C/2 |
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InChI Identifier | InChI=1S/C33H44O5/c1-17-9-8-10-18(2)27-21(5)15-24-25(34)12-11-19(3)28(24)32(27,7)29(35)26-30(36)33(38-31(26)37)16-22(6)20(4)14-23(33)13-17/h10,13-15,19,22-25,27-28,34,36H,8-9,11-12,16H2,1-7H3/b17-13-,18-10-/t19-,22+,23+,24+,25-,27+,28+,32+,33-/m0/s1 |
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InChI Key | CAGRXMHEDNKEQV-WVEXIZOASA-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, CDCl3, experimental) | taizong.wu@uq.edu.au | Not Available | Not Available | 2024-05-12 | View Spectrum | ROESY NMR | [1H, 1H] NMR Spectrum (2D, 600 MHz, CDCl3, experimental) | taizong.wu@uq.edu.au | Not Available | Not Available | 2024-05-12 | View Spectrum | HSQC NMR | [1H, 13C] NMR Spectrum (2D, 600 MHz, CDCl3, experimental) | taizong.wu@uq.edu.au | Not Available | Not Available | 2024-05-12 | View Spectrum | HMBC NMR | [1H, 13C] NMR Spectrum (2D, 600 MHz, CDCl3, experimental) | taizong.wu@uq.edu.au | Not Available | Not Available | 2024-05-12 | View Spectrum | COSY NMR | [1H, 1H] NMR Spectrum (2D, 600 MHz, CDCl3, experimental) | taizong.wu@uq.edu.au | Not Available | Not Available | 2024-05-12 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, CDCl3, experimental) | taizong.wu@uq.edu.au | Not Available | Not Available | 2024-05-12 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 151 MHz, CDCl3, experimental) | taizong.wu@uq.edu.au | Not Available | Not Available | 2024-05-12 | View Spectrum | HSQC NMR | [1H, 13C] NMR Spectrum (2D, 600 MHz, CDCl3, experimental) | taizong.wu@uq.edu.au | Not Available | Not Available | 2022-12-23 | View Spectrum | ROESY NMR | [1H, 1H] NMR Spectrum (2D, 600 MHz, CDCl3, experimental) | taizong.wu@uq.edu.au | Not Available | Not Available | 2022-12-23 | View Spectrum | HSQC NMR | [1H, 13C] NMR Spectrum (2D, 600 MHz, CDCl3, experimental) | taizong.wu@uq.edu.au | Not Available | Not Available | 2022-12-23 | View Spectrum | HMBC NMR | [1H, 13C] NMR Spectrum (2D, 600 MHz, CDCl3, experimental) | taizong.wu@uq.edu.au | Not Available | Not Available | 2022-12-23 | View Spectrum | COSY NMR | [1H, 1H] NMR Spectrum (2D, 600 MHz, CDCl3, experimental) | taizong.wu@uq.edu.au | Not Available | Not Available | 2022-12-23 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, CDCl3, experimental) | taizong.wu@uq.edu.au | Not Available | Not Available | 2022-12-23 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 151 MHz, CDCl3, experimental) | taizong.wu@uq.edu.au | 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. CMB-PB041 | | |
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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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