| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:45:49 UTC |
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| Update Date | 2025-03-21 18:00:38 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00028551 |
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| Frequency | 131.8 |
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| Structure | |
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| Chemical Formula | C9H11NO4 |
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| Molecular Mass | 197.0688 |
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| SMILES | Cc1ncc(C(C)O)c(C(=O)O)c1O |
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| InChI Key | XMAZJPGMVQJQEI-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 | pyridinecarboxylic acids and derivatives |
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| Direct Parent | pyridinecarboxylic acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compounds2-halopyridinesaromatic alcoholsazacyclic compoundsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmethylpyridinesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspolyhalopyridinessecondary alcoholsvinylogous acids |
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| Substituents | aromatic alcoholcarboxylic acidaromatic heteromonocyclic compoundpolyhalopyridinecarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compound1-carboxy-2-haloaromatic compound2-halopyridinealcoholazacycleheteroaromatic compoundhydroxypyridinemethylpyridinevinylogous acidmonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholpyridine carboxylic acidhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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