| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:54:04 UTC |
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| Update Date | 2025-03-21 18:04:04 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00048298 |
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| Frequency | 68.7 |
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| Structure | |
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| Chemical Formula | C13H9FO2 |
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| Molecular Mass | 216.0587 |
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| SMILES | O=C(O)c1ccccc1-c1ccc(F)cc1 |
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| InChI Key | LGVNEKHPDXUTKA-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 | benzoic acids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compoundsaryl fluoridesbenzoyl derivativesfluorobenzeneshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganofluoridesorganooxygen compounds |
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| Substituents | aryl fluoridecarboxylic acidorganofluoridebenzoylcarboxylic acid derivativeorganohalogen compoundaryl halidearomatic homomonocyclic compoundfluorobenzeneorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivative1-carboxy-2-haloaromatic compoundhalobenzenebenzoic acidorganooxygen compound |
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