| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:17:35 UTC |
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| Update Date | 2025-03-25 01:00:10 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02241427 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H9Cl2NO4 |
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| Molecular Mass | 276.9909 |
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| SMILES | CC(NC(=O)Oc1ccc(Cl)cc1Cl)C(=O)O |
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| InChI Key | FUZIHEVQDYETDJ-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 | alanine and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alpha amino acidsaryl chloridescarbamate esterscarbonyl compoundscarboxylic acidsdichlorobenzeneshydrocarbon derivativesmonocarboxylic acids and derivativesorganic carbonic acids and derivativesorganic oxidesorganochloridesorganonitrogen compoundsorganopnictogen compoundsphenoxy compounds |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidorganochlorideorganohalogen compound1,3-dichlorobenzeneorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundaryl chloridechlorobenzenecarbonic acid derivativecarbamic acid esteraryl halidearomatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundalanine or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundhalobenzenephenoxy compoundorganooxygen compound |
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