| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:08:00 UTC |
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| Update Date | 2025-03-25 00:56:39 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02219858 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H12NO4+ |
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| Molecular Mass | 186.0761 |
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| SMILES | C[N+]1(C)C=C(C(=O)O)CC(O)C1=O |
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| InChI Key | LXVPHPJIBKMPCG-UHFFFAOYSA-O |
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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 acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic cationsorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary alcohols |
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| Substituents | alcoholcarbonyl groupcarboxylic acidazacycletetrahydropyridinecarboxylic acid derivativeorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundaliphatic heteromonocyclic compoundorganonitrogen compoundsecondary alcoholorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganic cationorganooxygen compound |
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