| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:53:24 UTC |
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| Update Date | 2025-03-25 00:51:20 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02186236 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H13Cl2NO2 |
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| Molecular Mass | 249.0323 |
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| SMILES | NCCC(O)COc1ccc(Cl)cc1Cl |
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| InChI Key | RJYYPIDQTHQKPR-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 chlorideshydrocarbon derivativesmonoalkylaminesorganochloridesorganonitrogen compoundsorganopnictogen compoundsphenol ethersphenoxy compoundssecondary alcohols |
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| Substituents | aryl chloridealcoholphenol etheretherorganochloridealkyl aryl etherorganohalogen compoundaryl halide1,3-dichlorobenzenearomatic homomonocyclic compoundorganic oxygen compoundorganonitrogen compoundsecondary alcoholorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundphenoxy compoundorganooxygen compound |
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