| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:52:14 UTC |
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| Update Date | 2025-03-25 00:50:52 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02183573 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H9NO2 |
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| Molecular Mass | 223.0633 |
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| SMILES | O=C(O)c1cc2ccccc2c2ncccc12 |
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| InChI Key | YRBPGMPDIHEDQZ-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | naphthalenes |
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| Subclass | naphthalenecarboxylic acids and derivatives |
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| Direct Parent | naphthalenecarboxylic acids |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compounds2-halopyridinesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspolyhalopyridinesquinoline carboxylic acids |
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| Substituents | carboxylic acidpolyhalopyridinecarboxylic acid derivativeorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundquinolineorganopnictogen compound1-carboxy-2-haloaromatic compound2-halopyridineorganoheterocyclic compoundquinoline-5-carboxylic acidazacycleheteroaromatic compoundhydroxypyridinemonocarboxylic acid or derivativespyridineorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compound2-naphthalenecarboxylic acidorganooxygen compound |
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