| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:29:28 UTC |
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| Update Date | 2025-03-21 18:41:10 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00132868 |
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| Frequency | 19.0 |
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| Structure | |
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| Chemical Formula | C10H8N2O3 |
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| Molecular Mass | 204.0535 |
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| SMILES | Nc1c(C(=O)O)cnc2ccc(O)cc12 |
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| InChI Key | XYHFAXPKGXQWBM-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 | quinolines and derivatives |
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| Subclass | quinoline carboxylic acids |
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| Direct Parent | quinoline carboxylic acids |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compounds1-hydroxy-2-unsubstituted benzenoids2-halopyridinesamino acidsazacyclic compoundsbenzenoidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridineshydroxyquinolinesmonocarboxylic acids and derivativesorganic oxidesorganooxygen compoundsorganopnictogen compoundspolyhalopyridinesprimary aminespyridine-3-carboxylic acidsvinylogous amides |
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| Substituents | pyridine carboxylic acid or derivativescarboxylic acidamino acid or derivativesamino acidpyridine-3-carboxylic acidpolyhalopyridine1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativequinoline-3-carboxylic acidorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compound1-carboxy-2-haloaromatic compound2-halopyridinevinylogous amideazacycleheteroaromatic compoundhydroxypyridinehydroxyquinolinemonocarboxylic acid or derivativespyridineorganic oxygen compoundpyridine carboxylic acidhydrocarbon derivativebenzenoidprimary amineorganic nitrogen compoundamineorganooxygen compound |
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