Record Information |
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Version | 1.0 |
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Created at | 2022-12-23 12:09:32 UTC |
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Updated at | 2024-05-14 00:41:16 UTC |
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NP-MRD ID | NP0331401 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | Glenthmycin F |
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Description | Not Available |
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Structure | [H][C@]12C=C(C)[C@@]3([H])\C(C)=C\CCC(C)=C[C@]4([H])C=C([C@H](C)C[C@]44OC(=O)C(=C4O)C(=O)[C@@]3(C)[C@]1([H])[C@@H](C)CC[C@@H]2O[C@@H]1O[C@H](C)[C@@H](O)[C@@H](OC(=O)C2=C(O)C=C(OC)C=C2C)[C@H]1O)C(O)=O InChI=1S/C48H60O14/c1-21-11-10-12-22(2)36-25(5)17-31-33(60-46-39(51)40(38(50)27(7)59-46)61-44(56)34-24(4)16-29(58-9)19-32(34)49)14-13-23(3)37(31)47(36,8)41(52)35-42(53)48(62-45(35)57)20-26(6)30(43(54)55)18-28(48)15-21/h12,15-19,23,26-28,31,33,36-40,46,49-51,53H,10-11,13-14,20H2,1-9H3,(H,54,55)/b21-15+,22-12+/t23-,26+,27+,28+,31+,33-,36+,37+,38+,39+,40+,46-,47+,48-/m0/s1 |
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Synonyms | Not Available |
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Chemical Formula | C48H60O14 |
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Average Mass | 860.9940 Da |
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Monoisotopic Mass | 860.39831 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@@]3([H])\C(C)=C\CCC(C)=C[C@]4([H])C=C([C@H](C)C[C@]44OC(=O)C(=C4O)C(=O)[C@@]3(C)[C@]1([H])[C@@H](C)CC[C@@H]2O[C@@H]1O[C@H](C)[C@@H](O)[C@@H](OC(=O)C2=C(O)C=C(OC)C=C2C)[C@H]1O)C(O)=O |
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InChI Identifier | InChI=1S/C48H60O14/c1-21-11-10-12-22(2)36-25(5)17-31-33(60-46-39(51)40(38(50)27(7)59-46)61-44(56)34-24(4)16-29(58-9)19-32(34)49)14-13-23(3)37(31)47(36,8)41(52)35-42(53)48(62-45(35)57)20-26(6)30(43(54)55)18-28(48)15-21/h12,15-19,23,26-28,31,33,36-40,46,49-51,53H,10-11,13-14,20H2,1-9H3,(H,54,55)/b21-15+,22-12+/t23-,26+,27+,28+,31+,33-,36+,37+,38+,39+,40+,46-,47+,48-/m0/s1 |
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InChI Key | RBRGQIIUIRPTCU-PFXJEAIYSA-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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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 | 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 | 1H NMR Spectrum (1D, 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 | 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 (2D, 600 MHz, CDCl3, experimental) | taizong.wu@uq.edu.au | Not Available | Not Available | 2022-12-23 | View Spectrum | 1D NMR | [13C, ] NMR Spectrum (2D, 151 MHz, CDCl3, experimental) | taizong.wu@uq.edu.au | Not Available | Not Available | 2022-12-23 | View Spectrum | 1D NMR | [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 (2D, 600 MHz, CDCl3, experimental) | taizong.wu@uq.edu.au | Not Available | Not Available | 2022-12-23 | 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 | |
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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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