| Record Information |
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| HMDB Status | detected |
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| Creation Date | 2024-02-20 23:47:27 UTC |
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| Update Date | 2025-03-21 18:01:21 UTC |
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| HMDB ID | HMDB0245475 |
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| Metabolite Identification |
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| DeepMet ID | DMID00032432 |
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| Name | 2,4,5-Trichlorophenoxyacetic acid |
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| Frequency | 112.6 |
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| Structure | |
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| Chemical Formula | C8H5Cl3O3 |
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| Molecular Mass | 253.9304 |
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| SMILES | O=C(O)COc1cc(Cl)c(Cl)cc1Cl |
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| InChI Key | SMYMJHWAQXWPDB-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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