| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:53:38 UTC |
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| Update Date | 2025-03-21 18:03:55 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00047311 |
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| Frequency | 70.5 |
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| Structure | |
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| Chemical Formula | C9H7NO3 |
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| Molecular Mass | 177.0426 |
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| SMILES | O=C(O)C1Nc2ccccc2C1=O |
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| InChI Key | QITAIBJUYYDJSR-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 | indoles and derivatives |
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| Subclass | indolecarboxylic acids and derivatives |
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| Direct Parent | indolecarboxylic acids |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1,3-dicarbonyl compoundsalpha amino acidsamino acidsaryl alkyl ketonesazacyclic compoundsbenzenoidscarboxylic acidshydrocarbon derivativesindolesindolinesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundssecondary alkylarylaminesvinylogous amides |
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| Substituents | carbonyl groupcarboxylic acidaryl alkyl ketoneamino acid or derivativesamino acidindolealpha-amino acid or derivativescarboxylic acid derivativeketoneorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compounddihydroindolevinylogous amideazacyclesecondary aminesecondary aliphatic/aromatic aminemonocarboxylic acid or derivativesorganic oxygen compoundindolecarboxylic acidhydrocarbon derivativebenzenoidorganic nitrogen compound1,3-dicarbonyl compoundamineorganooxygen compoundaryl ketone |
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