| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:12:53 UTC |
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| Update Date | 2025-03-21 18:32:51 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00092945 |
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| Frequency | 30.1 |
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| Structure | |
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| Chemical Formula | C9H9ClO4 |
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| Molecular Mass | 216.0189 |
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| SMILES | COc1cc(Cl)ccc1OCC(=O)O |
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| InChI Key | PVUWZUAZEYECBS-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 ethersanisolesaryl chloridescarbonyl compoundscarboxylic acidschlorobenzeneshydrocarbon derivativesmethoxybenzenesmonocarboxylic acids and derivativesorganic oxidesorganochloridesphenoxy compounds |
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| Substituents | phenol ethercarbonyl groupethercarboxylic acidorganochloridealkyl aryl ethercarboxylic acid derivativeorganohalogen compoundorganic oxidearyl chloridechlorobenzenemethoxybenzenearyl halidearomatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundchlorophenoxyacetateanisolehydrocarbon derivativehalobenzenephenoxy compoundorganooxygen compound |
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