| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:50:41 UTC |
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| Update Date | 2025-03-21 18:02:46 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00040155 |
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| Frequency | 86.2 |
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| Structure | |
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| Chemical Formula | C8H8ClNO3 |
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| Molecular Mass | 201.0193 |
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| SMILES | O=C(CO)Nc1cc(Cl)ccc1O |
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| InChI Key | BQDXREKBFVFFNX-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 | anilides |
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| Direct Parent | anilides |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalcohols and polyolsaryl chloridescarbonyl compoundscarboxylic acids and derivativeschlorobenzeneshalophenolshydrocarbon derivativesn-arylamidesorganic oxidesorganochloridesorganopnictogen compoundsp-chlorophenolssecondary carboxylic acid amides |
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| Substituents | carbonyl grouporganochloride1-hydroxy-2-unsubstituted benzenoidn-arylamidecarboxylic acid derivativeorganohalogen compoundorganic oxide4-halophenolorganonitrogen compoundorganopnictogen compoundaryl chloridechlorobenzenealcohol4-chlorophenolcarboxamide grouparyl halidearomatic homomonocyclic compoundanilidesecondary carboxylic acid amideorganic oxygen compoundphenolhydrocarbon derivativeorganic nitrogen compoundhalobenzeneorganooxygen compound |
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