| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:13:29 UTC |
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| Update Date | 2025-03-21 18:33:07 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00094360 |
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| Frequency | 29.5 |
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| Structure | |
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| Chemical Formula | C6H8N2O |
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| Molecular Mass | 124.0637 |
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| SMILES | NC(=O)C1=CNC=CC1 |
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| InChI Key | KGUMNRYFUFLBGA-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 acids and derivativesazacyclic compoundscarbonyl compoundscarboxylic acids and derivativesdialkylamineshydrocarbon derivativesorganic oxidesorganopnictogen compoundsprimary carboxylic acid amidesvinylogous amides |
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| Substituents | primary carboxylic acid amidevinylogous amidesecondary aliphatic aminecarbonyl groupazacycleamino acid or derivativessecondary aminecarboxamide groupcarboxylic acid derivativeorganic oxideorganic oxygen compoundaliphatic heteromonocyclic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compounddihydropyridineorganooxygen compoundamine |
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