| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:02:41 UTC |
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| Update Date | 2025-03-25 00:54:36 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02207365 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H11ClN2O4 |
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| Molecular Mass | 258.0407 |
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| SMILES | Nc1ccc(O)c(Cl)c1C(=O)CC(N)C(=O)O |
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| InChI Key | YAGCHVGTTILHOT-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 benzenoidsalpha amino acidsamino acidsaryl alkyl ketonesaryl chloridesbenzoyl derivativesbutyrophenonescarboxylic acidschlorobenzenesgamma-keto acids and derivativeshalophenolshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativeso-chlorophenolsorganic oxidesorganochloridesorganopnictogen compoundsvinylogous amidesvinylogous halides |
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| Substituents | monocyclic benzene moietycarboxylic acidaryl alkyl ketoneamino acid or derivativesamino acidorganochloridebenzoyl1-hydroxy-2-unsubstituted benzenoidalpha-amino acid or derivativescarboxylic acid derivativeorganohalogen compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundaryl chloride2-chlorophenolchlorobenzenevinylogous amidevinylogous halidearyl halidegamma-keto acidbutyrophenonearomatic homomonocyclic compound2-halophenolmonocarboxylic acid or derivativesketo acidphenolhydrocarbon derivativebenzenoidprimary aliphatic amineprimary amineorganic nitrogen compoundhalobenzeneaminealkyl-phenylketone |
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