| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:52:55 UTC |
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| Update Date | 2025-03-21 18:52:41 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00188072 |
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| Frequency | 12.1 |
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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 | CC1N=C(O)CCC1=O |
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| InChI Key | INSQWKBVWYKJQX-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 | azacyclic compoundscyclic carboximidic acidscyclic ketoneshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compounds |
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| Substituents | carbonyl groupazacycletetrahydropyridineorganic 1,3-dipolar compoundcyclic ketonepropargyl-type 1,3-dipolar organic compoundketoneorganic oxideorganic oxygen compoundaliphatic heteromonocyclic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundcyclic carboximidic acidorganooxygen compound |
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