| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:52:39 UTC |
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| Update Date | 2025-03-21 18:03:33 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00044929 |
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| Frequency | 75.1 |
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| Structure | |
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| Chemical Formula | C9H8Cl2O2 |
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| Molecular Mass | 217.9901 |
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| SMILES | CCC(=O)Oc1ccc(Cl)cc1Cl |
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| InChI Key | FXRBLZFPWONVMH-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 | phenol esters |
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| Subclass | phenol esters |
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| Direct Parent | phenol esters |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | aryl chloridescarbonyl compoundscarboxylic acid estersdichlorobenzeneshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganochloridesphenoxy compounds |
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| Substituents | aryl chloridechlorobenzenemonocyclic benzene moietycarbonyl grouporganochloridecarboxylic acid derivativeorganohalogen compoundaryl halide1,3-dichlorobenzenearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterphenol esterhydrocarbon derivativehalobenzenephenoxy compoundorganooxygen compound |
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