| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:00:45 UTC |
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| Update Date | 2025-03-21 18:06:35 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00063944 |
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| Frequency | 48.2 |
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| Structure | |
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| Chemical Formula | C13H18NO6+ |
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| Molecular Mass | 284.1129 |
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| SMILES | CC(C(=O)O)c1ccc[n+](C2OC(CO)C(O)C2O)c1 |
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| InChI Key | VYUDPOUGSRTKTK-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 | hydroxypyridines |
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| Direct Parent | hydroxypyridines |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesmethylpyridinesmonocarboxylic acids and derivativesmonosaccharidesorganic cationsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsprimary alcoholssecondary alcoholstetrahydrofurans |
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| Substituents | carbonyl groupcarboxylic acidaromatic heteromonocyclic compoundmonosaccharidecarboxylic acid derivativesaccharideorganic oxideorganonitrogen compoundorganopnictogen compoundorganic cationprimary alcoholalcoholazacycletetrahydrofuranheteroaromatic compoundhydroxypyridinemethylpyridineoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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