| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:02:36 UTC |
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| Update Date | 2025-03-25 00:54:34 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02207165 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H12ClNO4 |
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| Molecular Mass | 281.0455 |
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| SMILES | O=C(O)C1CCC(=O)N1C(=O)Cc1ccc(Cl)cc1 |
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| InChI Key | CHOBCUVLEPZJOS-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 heteromonocyclic compounds |
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| Alternative Parents | alpha amino acidsaryl chloridesazacyclic compoundscarbonyl compoundscarboxylic acidschlorobenzenesdicarboximideshydrocarbon derivativesmonocarboxylic acids and derivativesn-acylpyrrolidinesn-substituted carboxylic acid imidesorganic oxidesorganochloridesorganonitrogen compoundsorganopnictogen compoundsoxoprolinesphenylacetamidesproline and derivativespyrrolidine carboxylic acidspyrrolidine-2-ones |
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| Substituents | 2-pyrrolidonemonocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundorganochloriden-acylpyrrolidineorganohalogen compoundorganic oxidepyrrolidine carboxylic acidorganonitrogen compoundalpha-amino acidorganopnictogen compounddicarboximidepyrrolidinecarboxylic acid imide, n-substitutedpyrrolidonephenylacetamideorganoheterocyclic compoundaryl chloridechlorobenzeneproline or derivativesoxoprolineazacyclen-acyl-alpha-amino acidaryl halidecarboxylic acid imidemonocarboxylic acid or derivativespyrrolidine carboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundhalobenzeneorganooxygen compound |
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