| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:13:59 UTC |
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| Update Date | 2025-03-21 18:33:23 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00095574 |
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| Frequency | 29.0 |
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| Structure | |
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| Chemical Formula | C10H13N3O2 |
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| Molecular Mass | 207.1008 |
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| SMILES | CC(=O)NCCC(=O)c1cccnc1N |
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| InChI Key | OYRIJSIKARXAJP-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | pyridines and derivatives |
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| Subclass | halopyridines |
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| Direct Parent | polyhalopyridines |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 2-halopyridinesacetamidesamino acids and derivativesaryl alkyl ketonesazacyclic compoundscarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesimidolactamsmethylpyridinesorganic oxidesorganopnictogen compoundsprimary aminessecondary carboxylic acid amidesvinylogous amides |
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| Substituents | carbonyl grouparyl alkyl ketonearomatic heteromonocyclic compoundamino acid or derivativespolyhalopyridinecarboxylic acid derivativeketoneorganic oxideorganonitrogen compoundorganopnictogen compound2-halopyridineimidolactamacetamidevinylogous amideazacycleheteroaromatic compoundmethylpyridinecarboxamide groupsecondary carboxylic acid amideorganic oxygen compoundhydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compoundaryl ketone |
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