| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:54:09 UTC |
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| Update Date | 2025-03-25 00:51:35 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02187995 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H12N2O4 |
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| Molecular Mass | 236.0797 |
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| SMILES | CC(=O)NCCC(=O)c1cccnc1C(=O)O |
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| InChI Key | BVQMHAGWRSFQAN-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 | pyridine-2-carboxylic acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 2-halopyridinesacetamidesaryl alkyl ketonesazacyclic compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmethylpyridinesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspolyhalopyridinessecondary carboxylic acid amides |
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| Substituents | carbonyl groupcarboxylic acidaryl alkyl ketonearomatic heteromonocyclic compoundpolyhalopyridinecarboxylic acid derivativeketoneorganic oxidepyridine-2-carboxylic acidorganonitrogen compoundorganopnictogen compound2-halopyridineacetamideazacycleheteroaromatic compoundhydroxypyridinemethylpyridinecarboxamide groupsecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundaryl ketone |
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