| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:10:43 UTC |
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| Update Date | 2025-03-25 00:57:37 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02225994 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H13Cl2NO2 |
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| Molecular Mass | 261.0323 |
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| SMILES | CC(=O)NCC(C)Oc1ccc(Cl)cc1Cl |
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| InChI Key | AGIAWKQPQABZTI-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 | acetamidesalkyl aryl ethersaryl chloridescarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesorganochloridesorganonitrogen compoundsorganopnictogen compoundsphenol ethersphenoxy compoundssecondary carboxylic acid amides |
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| Substituents | phenol ethercarbonyl groupetherorganochloridealkyl aryl ethercarboxylic acid derivativeorganohalogen compound1,3-dichlorobenzeneorganic oxideorganonitrogen compoundorganopnictogen compoundacetamidearyl chloridecarboxamide grouparyl halidearomatic homomonocyclic compoundsecondary carboxylic acid amideorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundphenoxy compoundorganooxygen compound |
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