| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:11:33 UTC |
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| Update Date | 2025-03-21 18:32:12 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00089683 |
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| Frequency | 31.5 |
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| Structure | |
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| Chemical Formula | C8H5ClO4 |
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| Molecular Mass | 199.9876 |
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| SMILES | O=C(O)c1cc(Cl)cc(C(=O)O)c1 |
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| InChI Key | PLPFTLXIQQYOMW-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 | m-phthalic acid and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 3-halobenzoic acidsaryl chloridesbenzoic acidsbenzoyl derivativescarboxylic acidschlorobenzenesdicarboxylic acids and derivativeshalobenzoic acidshydrocarbon derivativesorganic oxidesorganochloridesorganooxygen compounds |
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| Substituents | carboxylic acid3-halobenzoic acid or derivativesorganochloridebenzoylcarboxylic acid derivativeorganohalogen compoundorganic oxide3-halobenzoic acidmeta_phthalic_acidbenzoic acidaryl chloridechlorobenzenehalobenzoic acidhalobenzoic acid or derivativesaryl halidearomatic homomonocyclic compoundorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivativehalobenzeneorganooxygen compound |
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