| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:45:17 UTC |
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| Update Date | 2025-03-21 18:00:26 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00027312 |
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| Frequency | 139.1 |
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| Structure | |
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| Chemical Formula | C11H11Cl3O3 |
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| Molecular Mass | 295.9774 |
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| SMILES | COc1ccc(C(OC(C)=O)C(Cl)(Cl)Cl)cc1 |
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| InChI Key | WFKOCUIDRCZKLR-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 | benzyloxycarbonyls |
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| Direct Parent | benzyloxycarbonyls |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alkyl aryl ethersalkyl chloridesanisolescarbonyl compoundscarboxylic acid estershydrocarbon derivativesmethoxybenzenesmonocarboxylic acids and derivativesorganic oxidesorganochloridesphenoxy compounds |
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| Substituents | benzyloxycarbonylphenol ethercarbonyl groupetheralkyl chlorideorganochloridealkyl aryl ethercarboxylic acid derivativeorganohalogen compoundmethoxybenzenearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundanisolecarboxylic acid esteralkyl halidehydrocarbon derivativephenoxy compoundorganooxygen compound |
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