| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 01:19:02 UTC |
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| Update Date | 2025-03-21 19:11:04 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00248533 |
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| Frequency | 8.4 |
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| Structure | |
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| Chemical Formula | C6H9NO2 |
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| Molecular Mass | 127.0633 |
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| SMILES | O=C(O)C1CC=CNC1 |
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| InChI Key | QMDFHZOGAYONLN-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 | tetrahydropyridines |
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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 compounds |
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| Substituents | secondary aliphatic aminecarbonyl groupcarboxylic acidazacycleamino acid or derivativesamino acidtetrahydropyridinesecondary aminecarboxylic acid derivativeorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundaliphatic heteromonocyclic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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