| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 03:55:16 UTC |
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| Update Date | 2025-03-21 23:00:33 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00616548 |
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| Frequency | 2.6 |
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| Structure | |
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| Chemical Formula | C6H7NO2 |
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| Molecular Mass | 125.0477 |
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| SMILES | O=C(O)C1=CNC=CC1 |
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| InChI Key | MBELGTLJWJJGLF-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 | hydropyridines |
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| Direct Parent | dihydropyridines |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidsdialkylamineshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsvinylogous amides |
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| Substituents | vinylogous amidesecondary aliphatic aminecarbonyl groupcarboxylic acidazacycleamino acid or derivativesamino acidsecondary aminecarboxylic acid derivativeorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundaliphatic heteromonocyclic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compounddihydropyridineorganooxygen compoundamine |
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