| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:25:46 UTC |
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| Update Date | 2025-03-21 18:39:06 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00124087 |
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| Frequency | 20.7 |
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| Structure | |
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| Chemical Formula | C9H12N2O2 |
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| Molecular Mass | 180.0899 |
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| SMILES | O=C(NCCCO)c1ccccn1 |
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| InChI Key | UFRLKKZVJUBRLD-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 carboxamidesalcohols and polyolsazacyclic compoundscarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amides |
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| Substituents | alcoholpyridine carboxylic acid or derivativesaromatic heteromonocyclic compoundazacycleheteroaromatic compoundhydroxypyridinecarboxamide groupcarboxylic acid derivative2-heteroaryl carboxamidesecondary carboxylic acid amideorganic oxideorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivative2-halopyridineorganic nitrogen compoundorganooxygen compound |
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