| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:06:53 UTC |
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| Update Date | 2025-03-21 18:29:39 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00078715 |
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| Frequency | 37.1 |
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| Structure | |
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| Chemical Formula | C10H9NO3 |
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| Molecular Mass | 191.0582 |
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| SMILES | O=C1CC(C(=O)O)Nc2ccccc21 |
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| InChI Key | VYOPZMJTHXGKID-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 | alpha amino acidsamino acidsaryl alkyl ketonesazacyclic compoundsbenzenoidscarboxylic acidshydrocarbon derivativeshydroquinolineshydroquinolonesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundssecondary alkylarylaminesvinylogous amides |
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| Substituents | carbonyl groupcarboxylic acidaryl alkyl ketoneamino acid or derivativesamino acidalpha-amino acid or derivativescarboxylic acid derivativeketoneorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundtetrahydroquinolinevinylogous amidequinolonetetrahydroquinoloneazacyclesecondary aminesecondary aliphatic/aromatic aminemonocarboxylic acid or derivativesorganic oxygen compoundquinoline-2-carboxylic acidhydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compoundaryl ketone |
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