| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:06:32 UTC |
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| Update Date | 2025-03-25 00:56:08 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02216425 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H14Cl2O3 |
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| Molecular Mass | 276.032 |
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| SMILES | CCC(COc1ccc(Cl)cc1Cl)CC(=O)O |
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| InChI Key | ZTKQLZWQVSYBGJ-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 | halobenzenes |
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| Direct Parent | dichlorobenzenes |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alkyl aryl ethersaryl chloridescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganochloridesphenol ethersphenoxy compounds |
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| Substituents | aryl chloridephenol ethercarbonyl groupethercarboxylic acidorganochloridealkyl aryl ethercarboxylic acid derivativeorganohalogen compoundaryl halide1,3-dichlorobenzenearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativephenoxy compoundorganooxygen compound |
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