| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:15:58 UTC |
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| Update Date | 2025-03-21 18:34:21 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00100437 |
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| Frequency | 27.3 |
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| Structure | |
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| Chemical Formula | C8H6FNO3 |
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| Molecular Mass | 183.0332 |
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| SMILES | O=CNc1ccc(F)cc1C(=O)O |
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| InChI Key | QJNKQFMKXIGBEC-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 | benzene and substituted derivatives |
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| Subclass | benzoic acids and derivatives |
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| Direct Parent | acylaminobenzoic acid and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compounds3-halobenzoic acidsanilidesaryl fluoridesbenzoic acidsbenzoyl derivativescarbonyl compoundsfluorobenzeneshalobenzoic acidshydrocarbon derivativesmonocarboxylic acids and derivativesn-arylamidesorganic oxidesorganofluoridesorganopnictogen compoundssecondary carboxylic acid amidesvinylogous amides |
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| Substituents | aryl fluoridecarbonyl groupcarboxylic acid3-halobenzoic acid or derivativesbenzoyln-arylamidecarboxylic acid derivativeorganohalogen compoundfluorobenzeneorganic oxide3-halobenzoic acidorganonitrogen compoundorganopnictogen compound1-carboxy-2-haloaromatic compoundbenzoic acidvinylogous amidehalobenzoic acidacylaminobenzoic acid or derivativesorganofluoridehalobenzoic acid or derivativescarboxamide grouparyl halidearomatic homomonocyclic compoundanilidesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundhalobenzeneorganooxygen compound |
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