| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:25:15 UTC |
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| Update Date | 2025-03-21 18:38:52 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00122925 |
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| Frequency | 21.0 |
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| Structure | |
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| Chemical Formula | C8H6BrClO3 |
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| Molecular Mass | 263.9189 |
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| SMILES | O=C(O)COc1ccc(Cl)cc1Br |
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| InChI Key | IQFPVGBBDOCAMI-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 bromidesaryl chloridesbromobenzenescarbonyl compoundscarboxylic acidschlorobenzeneshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganobromidesorganochloridesphenol ethersphenoxy compounds |
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| Substituents | phenol ethercarbonyl groupethercarboxylic acidorganochloridealkyl aryl ethercarboxylic acid derivativeorganohalogen compoundorganic oxidearyl chloridechlorobenzenebromobenzenearyl halidearomatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundchlorophenoxyacetateorganobromidehydrocarbon derivativehalobenzenephenoxy compoundaryl bromideorganooxygen compound |
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