| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:54:21 UTC |
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| Update Date | 2025-03-25 00:51:39 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02188450 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H13ClO5 |
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| Molecular Mass | 272.0452 |
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| SMILES | CC(Cc1ccc(OCC(=O)O)c(Cl)c1)C(=O)O |
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| InChI Key | BNCMUMZILBYTHI-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 compoundsphenylpropanesphenylpropanoic acids |
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| Substituents | phenol ethercarbonyl groupethercarboxylic acid3-phenylpropanoic-acidorganochloridealkyl aryl ethercarboxylic acid derivativeorganohalogen compoundphenylpropaneorganic oxidearyl chloridechlorobenzenearyl halidearomatic homomonocyclic compoundorganic oxygen compoundchlorophenoxyacetatedicarboxylic acid or derivativeshydrocarbon derivativehalobenzenephenoxy compoundorganooxygen compound |
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