| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:52:50 UTC |
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| Update Date | 2025-03-21 18:03:37 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00045380 |
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| Frequency | 74.3 |
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| Structure | |
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| Chemical Formula | C11H11Cl3O2 |
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| Molecular Mass | 279.9825 |
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| SMILES | CC(=O)OC(c1ccc(C)cc1)C(Cl)(Cl)Cl |
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| InChI Key | RPASHMXAISBXDI-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 chloridescarbonyl compoundscarboxylic acid estershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganochloridestoluenes |
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| Substituents | benzyloxycarbonylcarbonyl groupalkyl chlorideorganochloridecarboxylic acid derivativeorganohalogen compoundaromatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esteralkyl halidehydrocarbon derivativetolueneorganooxygen compound |
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