| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:14:14 UTC |
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| Update Date | 2025-03-25 00:58:56 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02233827 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H7FN2O |
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| Molecular Mass | 154.0542 |
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| SMILES | NC(=O)c1ccc(N)cc1F |
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| InChI Key | WIKPEQHEEAWUBH-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 | 2-halobenzoic acids and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | amino acids and derivativesaryl fluoridesbenzamidesbenzoyl derivativescarboxylic acids and derivativesfluorobenzeneshydrocarbon derivativesorganic oxidesorganofluoridesorganooxygen compoundsorganopnictogen compoundsprimary aminesprimary carboxylic acid amidesvinylogous halides |
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| Substituents | aryl fluorideprimary carboxylic acid amideamino acid or derivativesbenzoylcarboxylic acid derivativeorganohalogen compoundbenzamidefluorobenzeneorganic oxideorganonitrogen compoundorganopnictogen compoundorganofluoridecarboxamide groupvinylogous halide2-halobenzoic acid or derivativesaryl halidearomatic homomonocyclic compoundorganic oxygen compoundhydrocarbon derivativeprimary amineorganic nitrogen compoundhalobenzeneamineorganooxygen compound |
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