| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:41:02 UTC |
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| Update Date | 2025-03-25 00:46:54 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02158061 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H9NO5 |
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| Molecular Mass | 247.0481 |
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| SMILES | O=C(O)c1ccc(=O)[nH]c1-c1ccc(O)c(O)c1 |
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| InChI Key | CITRRCNNORQQIA-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-3-carboxylic acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoids2-halopyridinesazacyclic compoundsbenzene and substituted derivativescarboxylic acidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridineslactamsmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspolyhalopyridinespyridinonesvinylogous amides |
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| Substituents | monocyclic benzene moietylactamcarboxylic acidaromatic heteromonocyclic compoundpyridine-3-carboxylic acidpolyhalopyridine1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compound2-halopyridinevinylogous amideazacycleheteroaromatic compoundhydroxypyridine1-hydroxy-4-unsubstituted benzenoidmonocarboxylic acid or derivativesorganic oxygen compoundphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundpyridinoneorganooxygen compound |
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