Record Information |
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Version | 2.0 |
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Created at | 2022-11-17 18:42:04 UTC |
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Updated at | 2024-09-03 04:14:44 UTC |
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NP-MRD ID | NP0331150 |
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Natural Product DOI | https://doi.org/10.57994/0024 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | Azachrysosporazine A1 |
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Description | Based on a literature review very few articles have been published on CHEMBL5085998. |
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Structure | [H][C@]12CN(C=CN1C(=O)C1=C(N=CC=C1)[C@]2([H])C1=CC(OC)=C2OCOC2=C1)C(C)=O InChI=1S/C21H19N3O5/c1-12(25)23-6-7-24-15(10-23)18(19-14(21(24)26)4-3-5-22-19)13-8-16(27-2)20-17(9-13)28-11-29-20/h3-9,15,18H,10-11H2,1-2H3/t15-,18-/m1/s1 |
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Synonyms | Not Available |
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Chemical Formula | C21H19N3O5 |
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Average Mass | 393.3990 Da |
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Monoisotopic Mass | 393.13247 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@]12CN(C=CN1C(=O)C1=C(N=CC=C1)[C@]2([H])C1=CC(OC)=C2OCOC2=C1)C(C)=O |
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InChI Identifier | InChI=1S/C21H19N3O5/c1-12(25)23-6-7-24-15(10-23)18(19-14(21(24)26)4-3-5-22-19)13-8-16(27-2)20-17(9-13)28-11-29-20/h3-9,15,18H,10-11H2,1-2H3/t15-,18-/m1/s1 |
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InChI Key | SCAMUIOJOQXVJF-CRAIPNDOSA-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, C2D6OS, experimental) | amilahasini@gmail.com | Not Available | Not Available | 2022-11-17 | View Spectrum | ROESY NMR | [1H, 1H] NMR Spectrum (2D, 600 MHz, C2D6OS, experimental) | amilahasini@gmail.com | Not Available | Not Available | 2022-11-17 | View Spectrum | HMBC NMR | [1H, 13C] NMR Spectrum (2D, 600 MHz, C2D6OS, experimental) | amilahasini@gmail.com | Not Available | Not Available | 2022-11-17 | View Spectrum | COSY NMR | [1H, 1H] NMR Spectrum (2D, 600 MHz, C2D6OS, experimental) | amilahasini@gmail.com | Not Available | Not Available | 2022-11-17 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, C2D6OS, experimental) | amilahasini@gmail.com | Not Available | Not Available | 2022-11-17 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 151 MHz, C2D6OS, experimental) | amilahasini@gmail.com | Not Available | Not Available | 2022-11-17 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, C2D6OS, experimental) | amilahasini@gmail.com | Not Available | Not Available | 2022-11-17 | 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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