| Record Information |
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| HMDB Status | detected |
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| Creation Date | 2024-02-20 23:35:17 UTC |
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| Update Date | 2025-03-21 17:56:56 UTC |
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| HMDB ID | HMDB0246399 |
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| Metabolite Identification |
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| DeepMet ID | DMID00004507 |
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| Name | 4-Chlorophenoxyacetic acid |
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| Frequency | 1247.1 |
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| Structure | |
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| Chemical Formula | C8H7ClO3 |
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| Molecular Mass | 186.0084 |
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| SMILES | O=C(O)COc1ccc(Cl)cc1 |
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| InChI Key | SODPIMGUZLOIPE-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 | phenoxyacetic acid derivatives |
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| Direct Parent | chlorophenoxyacetates |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alkyl aryl ethersaryl chloridescarbonyl compoundscarboxylic acidschlorobenzeneshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganochloridesphenol ethersphenoxy compounds |
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| Substituents | aryl chloridechlorobenzenephenol ethercarbonyl groupethercarboxylic acidorganochloridealkyl aryl ethercarboxylic acid derivativeorganohalogen compoundaryl halidearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundchlorophenoxyacetatehydrocarbon derivativehalobenzenephenoxy compoundorganooxygen compound |
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