| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:42:57 UTC |
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| Update Date | 2025-03-25 00:47:31 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02162322 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H13Cl2NO5 |
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| Molecular Mass | 333.0171 |
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| SMILES | O=C(O)CCC(NC(=O)Cc1ccc(Cl)cc1Cl)C(=O)O |
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| InChI Key | IIUYPVBZGYIMJX-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 | glutamic acid and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alpha amino acidsaryl chloridescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesdichlorobenzeneshydrocarbon derivativesn-acyl-alpha amino acidsorganic oxidesorganochloridesorganonitrogen compoundsorganopnictogen compoundsphenylacetamidessecondary carboxylic acid amides |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidorganochlorideorganohalogen compound1,3-dichlorobenzeneorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundphenylacetamiden-acyl-alpha amino acid or derivativesaryl chloridechlorobenzenen-acyl-alpha-amino acidglutamic acid or derivativescarboxamide grouparyl halidearomatic homomonocyclic compoundsecondary carboxylic acid amideorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundhalobenzeneorganooxygen compound |
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