| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:02:05 UTC |
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| Update Date | 2025-03-25 00:54:23 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02205983 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H10ClNO4 |
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| Molecular Mass | 243.0298 |
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| SMILES | NC(CC(=O)c1ccc(Cl)c(O)c1)C(=O)O |
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| InChI Key | HCXFEFYECYBKRA-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | carbonyl compounds |
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| Direct Parent | alkyl-phenylketones |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalpha amino acidsaryl alkyl ketonesaryl chloridesbenzoyl derivativesbutyrophenonescarboxylic acidschlorobenzenesgamma-keto acids and derivativeshalophenolshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativeso-chlorophenolsorganic oxidesorganochloridesorganonitrogen compoundsorganopnictogen compounds |
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| Substituents | monocyclic benzene moietycarboxylic acidaryl alkyl ketoneorganochloridebenzoyl1-hydroxy-2-unsubstituted benzenoidalpha-amino acid or derivativescarboxylic acid derivativeorganohalogen compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundaryl chloride2-chlorophenolchlorobenzene1-hydroxy-4-unsubstituted benzenoidaryl halidegamma-keto acidbutyrophenonearomatic homomonocyclic compound2-halophenolmonocarboxylic acid or derivativesketo acidphenolhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundhalobenzenealkyl-phenylketone |
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