| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:06:38 UTC |
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| Update Date | 2025-03-21 18:29:33 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00078118 |
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| Frequency | 37.5 |
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| Structure | |
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| Chemical Formula | C11H11ClN2O5 |
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| Molecular Mass | 286.0356 |
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| SMILES | O=C(O)CC(NC(=O)Nc1ccc(Cl)cc1)C(=O)O |
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| InChI Key | HKXUFNWZDXICHL-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 | aspartic acid and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alpha amino acidsaryl chloridescarbonyl compoundscarboxylic acidschlorobenzenesdicarboxylic acids and derivativeshydrocarbon derivativesn-carbamoyl-alpha amino acidsn-phenylureasorganic carbonic acids and derivativesorganic oxidesorganochloridesorganonitrogen compoundsorganopnictogen compounds |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidorganochlorideorganohalogen compoundorganic oxiden-carbamoyl-alpha-amino acid or derivativesorganonitrogen compoundalpha-amino acidorganopnictogen compoundaryl chloridechlorobenzenecarbonic acid derivativen-carbamoyl-alpha-amino acidaryl halidearomatic homomonocyclic compoundn-phenylureaorganic oxygen compoundaspartic acid or derivativesdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundhalobenzeneorganooxygen compound |
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