| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:10:34 UTC |
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| Update Date | 2025-03-25 00:57:34 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02225674 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H13Cl3O4 |
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| Molecular Mass | 373.9879 |
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| SMILES | CC(C)(Oc1cc(Cl)ccc1Oc1ccc(Cl)cc1Cl)C(=O)O |
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| InChI Key | WGLOAYCUGKTNSC-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 | diphenylethers |
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| Direct Parent | diphenylethers |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alkyl aryl ethersaryl chloridescarbonyl compoundscarboxylic acidsdiarylethersdichlorobenzeneshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganochloridesphenol ethersphenoxy compoundsphenoxyacetic acid derivatives |
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| Substituents | diaryl etherphenol etherphenoxyacetatecarbonyl groupethercarboxylic acidorganochloridealkyl aryl ethercarboxylic acid derivativeorganohalogen compound1,3-dichlorobenzeneorganic oxidearyl chloridechlorobenzenearyl halidearomatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativehalobenzenephenoxy compounddiphenyletherorganooxygen compound |
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