| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:29:09 UTC |
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| Update Date | 2025-03-21 18:41:02 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00132165 |
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| Frequency | 19.1 |
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| Structure | |
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| Chemical Formula | C10H10ClNO3 |
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| Molecular Mass | 227.0349 |
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| SMILES | NC(CC(=O)c1cccc(Cl)c1)C(=O)O |
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| InChI Key | YFNBEUVUCSHYTF-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 | alpha amino acidsaryl alkyl ketonesaryl chloridesbenzoyl derivativesbutyrophenonescarboxylic acidschlorobenzenesgamma-keto acids and derivativeshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganochloridesorganonitrogen compoundsorganopnictogen compounds |
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| Substituents | monocyclic benzene moietycarboxylic acidaryl alkyl ketoneorganochloridebenzoylalpha-amino acid or derivativescarboxylic acid derivativeorganohalogen compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundaryl chloridechlorobenzenearyl halidegamma-keto acidbutyrophenonearomatic homomonocyclic compoundmonocarboxylic acid or derivativesketo acidhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundhalobenzenealkyl-phenylketone |
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