| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:08:14 UTC |
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| Update Date | 2025-03-21 18:30:19 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00081933 |
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| Frequency | 35.3 |
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| Structure | |
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| Chemical Formula | C8H7ClO4 |
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| Molecular Mass | 202.0033 |
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| SMILES | O=C(O)COc1ccc(Cl)cc1O |
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| InChI Key | IJMOEYYLLVJVAS-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 | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalkyl aryl ethersaryl chloridescarbonyl compoundscarboxylic acidschlorobenzeneshalophenolshydrocarbon derivativesm-chlorophenolsmonocarboxylic acids and derivativesorganic oxidesorganochloridesphenol ethersphenoxy compounds |
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| Substituents | phenol ethercarbonyl groupethercarboxylic acidorganochloride1-hydroxy-2-unsubstituted benzenoidalkyl aryl ethercarboxylic acid derivativeorganohalogen compoundorganic oxidearyl chloridechlorobenzene3-halophenol3-chlorophenol1-hydroxy-4-unsubstituted benzenoidaryl halidearomatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundchlorophenoxyacetatephenolhydrocarbon derivativehalobenzenephenoxy compoundorganooxygen compound |
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