| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:19:54 UTC |
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| Update Date | 2025-03-21 18:36:19 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00110102 |
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| Frequency | 24.2 |
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| Structure | |
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| Chemical Formula | C10H14N2O3 |
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| Molecular Mass | 210.1004 |
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| SMILES | CC(=O)OCc1cnc(C)c(O)c1CN |
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| InChI Key | VKDYTCOBVPHNKG-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 | pyridoxamines |
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| Direct Parent | pyridoxamine 5'-phosphates |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 2-halopyridinesazacyclic compoundscarbonyl compoundscarboxylic acid estersheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmethylpyridinesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspolyhalopyridines |
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| Substituents | carbonyl grouparomatic heteromonocyclic compoundazacyclepolyhalopyridineheteroaromatic compoundhydroxypyridinemethylpyridinecarboxylic acid derivativepyridoxamine 5'-phosphateorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amine2-halopyridineorganic nitrogen compoundorganooxygen compound |
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