Record Information |
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Version | 1.0 |
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Created at | 2022-11-17 18:42:04 UTC |
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Updated at | 2024-04-19 09:31:15 UTC |
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NP-MRD ID | NP0331150 |
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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 | It was first documented in 2023 (PMID: 37079875). Based on a literature review a significant number of articles have been published on CHEMBL5085998 (PMID: 37079872) (PMID: 37079871) (PMID: 37079861) (PMID: 37079701). |
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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 (2D, 600 MHz, C2D6OS, experimental) | amilahasini@gmail.com | Not Available | Not Available | 2022-11-17 | View Spectrum | 1D NMR | [13C, ] NMR Spectrum (2D, 151 MHz, C2D6OS, experimental) | amilahasini@gmail.com | Not Available | Not Available | 2022-11-17 | View Spectrum | 1D NMR | [1H, ] NMR Spectrum (2D, 600 MHz, C2D6OS, experimental) | amilahasini@gmail.com | Not Available | Not Available | 2022-11-17 | 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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External Links |
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HMDB ID | Not Available |
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DrugBank ID | Not Available |
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Phenol Explorer Compound ID | Not Available |
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FoodDB ID | Not Available |
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KNApSAcK ID | Not Available |
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Chemspider ID | 114779794 |
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KEGG Compound ID | Not Available |
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BioCyc ID | Not Available |
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BiGG ID | Not Available |
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Wikipedia Link | Not Available |
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METLIN ID | Not Available |
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PubChem Compound | 166632571 |
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PDB ID | Not Available |
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ChEBI ID | Not Available |
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Good Scents ID | Not Available |
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References |
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General References | - Liao KF, Lai SW: Aspirin Use and the Risk of Hepatocellular Carcinoma: A Meta-analysis. J Clin Gastroenterol. 2023 Jul 1;57(6):640-641. doi: 10.1097/MCG.0000000000001856. [PubMed:37079875 ]
- Ashton JJ, Gurung A, Davis C, Seaby EG, Coelho T, Batra A, Afzal NA, Ennis S, Beattie RM: The Pediatric Crohn Disease Morbidity Index (PCD-MI): Development of a Tool to Assess Long-Term Disease Burden Using a Data-Driven Approach. J Pediatr Gastroenterol Nutr. 2023 Jul 1;77(1):70-78. doi: 10.1097/MPG.0000000000003793. Epub 2023 Apr 20. [PubMed:37079872 ]
- Mougey EB, Judy WC, Venkatesh RD, Berg E, Lee JA, Rosen JM, Li BUK, Koster A, Maiden K, Gao Z, Franciosi JP: Equity and Inclusion in Pediatric Gastroenterology Telehealth: A Study of Demographic, Socioeconomic and Digital Disparities. J Pediatr Gastroenterol Nutr. 2023 Apr 21. doi: 10.1097/MPG.0000000000003797. [PubMed:37079871 ]
- Weeks I, Abber SR, Thomas JJ, Calabrese S, Kuo B, Staller K, Murray HB: The Intersection of Disorders of Gut-Brain Interaction With Avoidant/Restrictive Food Intake Disorder. J Clin Gastroenterol. 2023 Apr 21. doi: 10.1097/MCG.0000000000001853. [PubMed:37079861 ]
- Imperiale TF, Myers LJ, Barker BC, Larson J, Stump TE, Daggy JK: Risk Factors for Early Onset Sporadic Colorectal Cancer in Male Veterans. Cancer Prev Res (Phila). 2023 Apr 21:CAPR-22-0506. doi: 10.1158/1940-6207.CAPR-22-0506. [PubMed:37079701 ]
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