| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:45:49 UTC |
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| Update Date | 2025-03-21 18:00:39 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00028576 |
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| Frequency | 131.6 |
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| Structure | |
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| Chemical Formula | C9H8ClNO3 |
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| Molecular Mass | 213.0193 |
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| SMILES | CC(=O)Nc1ccc(Cl)cc1C(=O)O |
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| InChI Key | MFQIGFQXUBKVSJ-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 acidsacetamidesaryl chloridesbenzoic acidsbenzoyl derivativescarbonyl compoundschlorobenzeneshalobenzoic acidshydrocarbon derivativesmonocarboxylic acids and derivativesn-acetylarylaminesorganic oxidesorganochloridesorganopnictogen compoundsp-haloacetanilidessecondary carboxylic acid amidesvinylogous amides |
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| Substituents | carbonyl groupcarboxylic acidn-acetylarylamine3-halobenzoic acid or derivativesorganochloridebenzoyln-arylamidecarboxylic acid derivativeorganohalogen compoundhaloacetanilideorganic oxide3-halobenzoic acidorganonitrogen compoundorganopnictogen compound1-carboxy-2-haloaromatic compoundbenzoic acidacetamidearyl chloridechlorobenzenep-haloacetanilidevinylogous amidehalobenzoic acidacylaminobenzoic acid or derivativesacetanilidehalobenzoic acid or derivativescarboxamide grouparyl halidearomatic homomonocyclic compoundanilidesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundhalobenzeneorganooxygen compound |
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