| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 05:43:12 UTC |
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| Update Date | 2025-03-24 14:33:00 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00873984 |
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| Frequency | 1.7 |
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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)C(=O)C1 |
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| InChI Key | AXTBPAFFDSFMMX-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 ketonesenamineshydrocarbon derivativesorganic oxidesorganopnictogen compoundstrialkylaminesvinylogous amides |
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| Substituents | vinylogous amidecarbonyl groupazacycletertiary aliphatic aminetetrahydropyridinecyclic ketoneketoneorganic oxideorganic oxygen compoundaliphatic heteromonocyclic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundaminetertiary amineorganooxygen compoundenamine |
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