| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:55:09 UTC |
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| Update Date | 2025-03-25 00:51:55 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02190245 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H17N3O2 |
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| Molecular Mass | 247.1321 |
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| SMILES | CC(=O)N1CCN(C(=O)c2ncccc2C)CC1 |
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| InChI Key | QRAYSMYSHIHRNG-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 | pyridinecarboxylic acids and derivatives |
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| Direct Parent | pyridinecarboxylic acids and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 2-halopyridines2-heteroaryl carboxamidesacetamidesazacyclic compoundscarbonyl compoundscarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesmethylpyridinesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspiperazinespolyhalopyridinestertiary carboxylic acid amides |
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| Substituents | pyridine carboxylic acid or derivativescarbonyl grouparomatic heteromonocyclic compoundpolyhalopyridinecarboxylic acid derivative2-heteroaryl carboxamideorganic oxidepiperazinetertiary carboxylic acid amideorganonitrogen compoundorganopnictogen compound2-halopyridineacetamideazacycleheteroaromatic compoundmethylpyridinecarboxamide grouporganic oxygen compound1,4-diazinanehydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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