| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 01:38:53 UTC |
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| Update Date | 2025-03-21 19:59:54 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00294105 |
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| Frequency | 6.8 |
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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 | CN1C=CC(=O)CC1=O |
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| InChI Key | WCEPTNOIFBISGK-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 compoundscarboxylic acids and derivativescyclic ketoneshydrocarbon derivativeslactamsorganic oxidesorganonitrogen compoundsorganopnictogen compoundstertiary carboxylic acid amidesvinylogous amides |
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| Substituents | vinylogous amidecarbonyl grouplactamazacycletetrahydropyridinecyclic ketonecarboxamide groupcarboxylic acid derivativeketoneorganic oxideorganic oxygen compoundtertiary carboxylic acid amidealiphatic heteromonocyclic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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