| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:45:02 UTC |
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| Update Date | 2025-03-25 00:48:16 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02167137 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H16ClNO3 |
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| Molecular Mass | 281.0819 |
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| SMILES | CC(C(=O)N1CCCC1C(=O)O)c1ccc(Cl)cc1 |
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| InChI Key | LKZAZNYXVJMAQU-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 acidschlorobenzeneshydrocarbon derivativesmonocarboxylic acids and derivativesn-acylpyrrolidinesorganic oxidesorganochloridesorganonitrogen compoundsorganopnictogen compoundsphenylacetamidesproline and derivativespyrrolidine carboxylic acidstertiary carboxylic acid amides |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundorganochloriden-acylpyrrolidineorganohalogen compoundorganic oxidepyrrolidine carboxylic acidtertiary carboxylic acid amideorganonitrogen compoundalpha-amino acidorganopnictogen compoundpyrrolidinephenylacetamideorganoheterocyclic compoundaryl chloridechlorobenzeneproline or derivativesazacyclen-acyl-alpha-amino acidcarboxamide grouparyl halidemonocarboxylic acid or derivativespyrrolidine carboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundhalobenzeneorganooxygen compound |
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