| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:30:15 UTC |
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| Update Date | 2025-03-21 18:41:30 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00134635 |
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| Frequency | 18.7 |
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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)Cn1c(C(=O)O)cc(=O)c2ccccc21 |
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| InChI Key | PDZSTMBAKQDESK-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 | 2-halopyridinesalpha amino acids and derivativesazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativeshydroquinolineshydroquinoloneshydroxypyridinesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspolyhalopyridinespyridine-2-carboxylic acidsvinylogous amides |
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| Substituents | pyridine carboxylic acid or derivativescarbonyl groupcarboxylic acidpolyhalopyridinealpha-amino acid or derivativescarboxylic acid derivativeorganic oxidepyridine-2-carboxylic acidaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compound2-halopyridinevinylogous amideazacycleheteroaromatic compoundhydroxypyridinedihydroquinolinedihydroquinolonepyridineorganic oxygen compoundpyridine carboxylic aciddicarboxylic acid or derivativesquinoline-2-carboxylic acidhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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