| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:47:26 UTC |
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| Update Date | 2025-03-21 18:01:21 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00032366 |
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| Frequency | 112.8 |
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| Structure | |
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| Chemical Formula | C8H10N2O2 |
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| Molecular Mass | 166.0742 |
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| SMILES | O=C(NCCO)c1ccccn1 |
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| InChI Key | SIUMVFGIULAFNI-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 polyolsalkanolaminesazacyclic compoundscarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesn-acylethanolaminesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amides |
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| Substituents | alcoholpyridine carboxylic acid or derivativesaromatic heteromonocyclic compoundazacycleheteroaromatic compoundhydroxypyridinecarboxamide groupn-acylethanolaminecarboxylic acid derivative2-heteroaryl carboxamidesecondary carboxylic acid amideorganic oxideorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivative2-halopyridineorganic nitrogen compoundorganooxygen compoundalkanolamine |
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