| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:41:07 UTC |
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| Update Date | 2025-03-25 00:46:55 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02158248 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H9ClO5 |
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| Molecular Mass | 244.0139 |
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| SMILES | O=C(O)COc1ccc(CC(=O)O)c(Cl)c1 |
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| InChI Key | XQJYCKIBWNQIFD-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 acidschlorobenzenesdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesorganochloridesphenol ethersphenoxy compounds |
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| Substituents | aryl chloridechlorobenzenephenol ethercarbonyl groupethercarboxylic acidorganochloridealkyl aryl ethercarboxylic acid derivativeorganohalogen compoundaryl halidearomatic homomonocyclic compoundorganic oxideorganic oxygen compoundchlorophenoxyacetatedicarboxylic acid or derivativeshydrocarbon derivativehalobenzenephenoxy compoundorganooxygen compound |
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