| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:20:30 UTC |
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| Update Date | 2025-03-25 01:01:17 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02248266 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H17N3O |
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| Molecular Mass | 219.1372 |
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| SMILES | Cc1cccc(C(=O)N2CCN(C)CC2)n1 |
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| InChI Key | IWJCIFGISDAGQP-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 carboxamidesamino acids and derivativesazacyclic compoundscarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesmethylpyridinesn-methylpiperazinesorganic oxidesorganooxygen compoundsorganopnictogen compoundspolyhalopyridinestertiary carboxylic acid amidestrialkylamines |
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| Substituents | pyridine carboxylic acid or derivativesaromatic heteromonocyclic compoundamino acid or derivativespolyhalopyridinecarboxylic acid derivative2-heteroaryl carboxamideorganic oxidepiperazinetertiary carboxylic acid amideorganonitrogen compoundorganopnictogen compound2-halopyridinetertiary amineazacyclen-alkylpiperazineheteroaromatic compoundtertiary aliphatic aminen-methylpiperazinemethylpyridinecarboxamide grouporganic oxygen compound1,4-diazinanehydrocarbon derivativeorganic nitrogen compoundamineorganooxygen compound |
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