| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:09:20 UTC |
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| Update Date | 2025-03-21 18:31:09 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00084525 |
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| Frequency | 33.9 |
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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)c(C(=O)O)c1 |
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| InChI Key | AMOFQIUOTAJRKS-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 compounds2-halobenzoic acidsacetamidesaryl chloridesbenzoic acidsbenzoyl derivativescarbonyl compoundschlorobenzeneshalobenzoic acidshydrocarbon derivativesmonocarboxylic acids and derivativesn-acetylarylaminesorganic oxidesorganochloridesorganopnictogen compoundsp-haloacetanilidessecondary carboxylic acid amidesvinylogous halides |
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| Substituents | 2-halobenzoic acidcarbonyl groupcarboxylic acidn-acetylarylamineorganochloridebenzoyln-arylamidecarboxylic acid derivativeorganohalogen compoundhaloacetanilideorganic oxideorganonitrogen compoundorganopnictogen compound1-carboxy-2-haloaromatic compoundbenzoic acidacetamidearyl chloridechlorobenzenep-haloacetanilidehalobenzoic acidacylaminobenzoic acid or derivativesacetanilidehalobenzoic acid or derivativescarboxamide groupvinylogous halide2-halobenzoic acid or derivativesaryl halidearomatic homomonocyclic compoundanilidesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundhalobenzeneorganooxygen compound |
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