Record Information |
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HMDB Status | Not Available |
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Creation Date | 2024-02-21 17:23:26 UTC |
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Update Date | 2025-03-25 01:49:54 UTC |
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HMDB ID | Not Available |
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Metabolite Identification |
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DeepMet ID | DMID02533258 |
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Frequency | 0.5 |
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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 | C[N+]1([O-])C=CCCC1=O |
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InChI Key | SKFIUROBRQECMR-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 compoundscarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesorganic oxoanionic compoundsorganonitrogen compoundsorganopnictogen compoundstrisubstituted amine oxides and derivatives |
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Substituents | carbonyl groupazacyclen-oxidetetrahydropyridinecarboxylic acid derivativeorganic oxideorganic oxygen compoundtrisubstituted n-oxidealiphatic heteromonocyclic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundorganic hyponitrite |
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