| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:52:39 UTC |
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| Update Date | 2025-03-21 18:03:32 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00044910 |
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| Frequency | 75.2 |
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| Structure | |
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| Chemical Formula | C9H8FNO3 |
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| Molecular Mass | 197.0488 |
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| SMILES | O=C(O)CNC(=O)c1ccccc1F |
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| InChI Key | QPLHHPDONGSZNY-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | amino acids, peptides, and analogues |
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| Direct Parent | acyl glycines |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 2-halobenzoic acids and derivativesalpha amino acidsaryl fluoridesbenzoyl derivativescarbonyl compoundscarboxylic acidsfluorobenzeneshippuric acids and derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganofluoridesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidesvinylogous halides |
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| Substituents | aryl fluoridemonocyclic benzene moietycarbonyl groupcarboxylic acidbenzoylorganohalogen compoundbenzamidefluorobenzeneorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganofluoridehippuric acid or derivativesbenzoic acid or derivativeshalobenzoic acid or derivativescarboxamide groupvinylogous haliden-acylglycine2-halobenzoic acid or derivativesaryl halidearomatic homomonocyclic compoundsecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundhalobenzeneorganooxygen compound |
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