| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:58:33 UTC |
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| Update Date | 2025-03-25 00:53:06 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02197887 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H7NO6 |
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| Molecular Mass | 213.0273 |
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| SMILES | O=C(O)Cc1c[nH]c(C(=O)O)c(O)c1=O |
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| InChI Key | VOJPEXDEFWMSOK-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 | 5-alkyl-2-carboxypyrimidines |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 2-halopyridinesazacyclic compoundscarbonyl compoundscarboxylic acidscyclic ketonesdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspolyhalopyridinesvinylogous acidsvinylogous amides |
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| Substituents | 5-alkyl-2-carboxypyrimidinecarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundpolyhalopyridinecyclic ketonecarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compound2-halopyridinevinylogous amideazacycleheteroaromatic compoundhydroxypyridinevinylogous acidorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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