| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:18:17 UTC |
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| Update Date | 2025-03-21 18:35:32 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00106120 |
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| Frequency | 25.4 |
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| Structure | |
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| Chemical Formula | C16H12N2O2 |
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| Molecular Mass | 264.0899 |
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| SMILES | O=C(O)c1cnc2ccccc2c1Nc1ccccc1 |
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| InChI Key | IETBAKGCCBATLU-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 compounds2-halopyridinesamino acidsazacyclic compoundsbenzene and substituted derivativesheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonocarboxylic acids and derivativesorganic oxidesorganooxygen compoundsorganopnictogen compoundspolyhalopyridinespyridine-3-carboxylic acidssecondary aminesvinylogous amides |
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| Substituents | pyridine carboxylic acid or derivativesmonocyclic benzene moietycarboxylic acidamino acid or derivativesamino acidpyridine-3-carboxylic acidpolyhalopyridinecarboxylic acid derivativequinoline-3-carboxylic acidorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compound1-carboxy-2-haloaromatic compound2-halopyridinevinylogous amideazacycleheteroaromatic compoundhydroxypyridinesecondary aminemonocarboxylic acid or derivativespyridineorganic oxygen compoundpyridine carboxylic acidhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundamine |
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