| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:50:58 UTC |
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| Update Date | 2025-03-25 00:50:24 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02180743 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H12NO4+ |
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| Molecular Mass | 198.0761 |
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| SMILES | C[n+]1cc(O)ccc1CC(O)C(=O)O |
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| InChI Key | YSRMRXQNWUOCPF-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 | halopyridines |
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| Direct Parent | polyhalopyridines |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 2-halopyridinesalpha hydroxy acids and derivativesazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonocarboxylic acids and derivativesn-methylpyridinium compoundsorganic cationsorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary alcohols |
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| Substituents | carbonyl groupcarboxylic acidn-methylpyridiniumaromatic heteromonocyclic compoundpolyhalopyridinealpha-hydroxy acidcarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compound2-halopyridineorganic cationalcoholazacycleheteroaromatic compoundhydroxypyridinehydroxy acidmonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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