| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:10:07 UTC |
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| Update Date | 2025-03-25 00:57:26 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02224721 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H8ClNO3 |
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| Molecular Mass | 213.0193 |
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| SMILES | Nc1ccc(Cl)cc1C(=O)CC(=O)O |
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| InChI Key | HEIPLIUDPUTMRJ-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 | amino acidsaryl alkyl ketonesaryl chloridesbenzoyl derivativesbeta-hydroxy ketonesbeta-keto acids and derivativescarboxylic acidschlorobenzeneshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganochloridesorganopnictogen compoundsphenylpropanoic acidsprimary aminesvinylogous amides |
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| Substituents | beta-hydroxy ketonemonocyclic benzene moietycarboxylic acidaryl alkyl ketone3-phenylpropanoic-acidamino acid or derivativesamino acidorganochloridebenzoylcarboxylic acid derivativeorganohalogen compoundbeta-keto acidorganic oxideorganonitrogen compoundorganopnictogen compoundaryl chloridechlorobenzenevinylogous amidearyl halidearomatic homomonocyclic compoundmonocarboxylic acid or derivativesketo acidhydrocarbon derivativebenzenoidprimary amineorganic nitrogen compoundhalobenzeneaminealkyl-phenylketone |
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