| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:44:16 UTC |
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| Update Date | 2025-03-25 00:47:59 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02165377 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H11Cl2NO4 |
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| Molecular Mass | 291.0065 |
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| SMILES | CCC(=O)NC(Oc1ccc(Cl)cc1Cl)C(=O)O |
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| InChI Key | SLYPVQNBNYGCCX-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 | alpha amino acidsaryl chloridescarbonyl compoundscarboxylic acidsdichlorobenzeneshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganochloridesorganonitrogen compoundsorganopnictogen compoundsphenol ethersphenoxy compoundsphenoxyacetic acid derivativessecondary carboxylic acid amides |
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| Substituents | phenol ethermonocyclic benzene moietyphenoxyacetatecarbonyl groupcarboxylic acidorganochlorideorganohalogen compound1,3-dichlorobenzeneorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundaryl chloridechlorobenzenen-acyl-alpha-amino acidcarboxamide grouparyl halidearomatic homomonocyclic compoundsecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundhalobenzenephenoxy compoundorganooxygen compound |
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