| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:08:25 UTC |
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| Update Date | 2025-03-25 00:56:48 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02220854 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H11ClN2O3 |
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| Molecular Mass | 254.0458 |
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| SMILES | O=C1CCC(C(=O)Nc2ccc(O)c(Cl)c2)N1 |
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| InChI Key | LYVMXPXVBRZIBY-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 | proline and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalpha amino acid amidesalpha amino acidsanilidesaryl chloridesazacyclic compoundscarbonyl compoundscarboxylic acids and derivativeschlorobenzeneshalophenolshydrocarbon derivativeslactamsn-arylamideso-chlorophenolsorganic oxidesorganochloridesorganopnictogen compoundspyrrolidine-2-onespyrrolidinecarboxamidessecondary carboxylic acid amides |
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| Substituents | 2-pyrrolidonemonocyclic benzene moietycarbonyl grouplactamaromatic heteromonocyclic compoundorganochloride1-hydroxy-2-unsubstituted benzenoidn-arylamideorganohalogen compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundpyrrolidinepyrrolidoneorganoheterocyclic compoundaryl chloride2-chlorophenolchlorobenzeneproline or derivativesalpha-amino acid amideazacyclecarboxamide grouparyl halideanilide2-halophenolsecondary carboxylic acid amidepyrrolidine carboxylic acid or derivativesorganic oxygen compoundphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundhalobenzenepyrrolidine-2-carboxamideorganooxygen compound |
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