| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:40:56 UTC |
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| Update Date | 2025-03-25 00:46:52 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02157871 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H7NO7 |
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| Molecular Mass | 229.0223 |
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| SMILES | O=C(O)c1[nH]c(C(O)C(=O)O)cc(=O)c1O |
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| InChI Key | OXHXJJQHXJYDCF-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 | pyridine-2-carboxylic acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 2-halopyridinesalpha hydroxy acids and derivativesaromatic alcoholsazacyclic compoundscarbonyl compoundscarboxylic acidscyclic ketonesdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspolyhalopyridinessecondary alcoholsvinylogous acidsvinylogous amides |
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| Substituents | aromatic alcoholcarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundpolyhalopyridinealpha-hydroxy acidcyclic ketonecarboxylic acid derivativeorganic oxidepyridine-2-carboxylic acidorganonitrogen compoundorganopnictogen compound2-halopyridinealcoholvinylogous amideazacycleheteroaromatic compoundhydroxypyridinehydroxy acidvinylogous acidorganic oxygen compoundsecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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