| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:10:43 UTC |
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| Update Date | 2025-03-25 00:57:37 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02225990 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H11ClN2O3 |
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| Molecular Mass | 242.0458 |
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| SMILES | CC(=O)NCC(=O)Nc1ccc(O)c(Cl)c1 |
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| InChI Key | WNURLFPHPJITEE-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | amino acids, peptides, and analogues |
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| Direct Parent | n-acyl-alpha amino acids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsacetamidesalpha amino acid amidesalpha amino acidsanilidesaryl chloridescarbonyl compoundscarboxylic acids and derivativeschlorobenzeneshalophenolshydrocarbon derivativesn-arylamideso-chlorophenolsorganic oxidesorganochloridesorganopnictogen compoundssecondary carboxylic acid amides |
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| Substituents | monocyclic benzene moietycarbonyl grouporganochloride1-hydroxy-2-unsubstituted benzenoidn-arylamideorganohalogen compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundacetamidearyl chloride2-chlorophenolchlorobenzenealpha-amino acid amiden-acyl-alpha-amino acidcarboxamide grouparyl halidearomatic homomonocyclic compoundanilide2-halophenolsecondary carboxylic acid amideorganic oxygen compoundphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundhalobenzeneorganooxygen compound |
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