| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:17:06 UTC |
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| Update Date | 2025-03-25 00:59:57 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02240332 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H17ClN2O2 |
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| Molecular Mass | 268.0979 |
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| SMILES | NC(Cc1ccc(O)c(Cl)c1)C(=O)N1CCCC1 |
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| InChI Key | PNUNCWDORWHWIO-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 | alpha amino acid amides |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalpha amino acidsamphetamines and derivativesaryl chloridesazacyclic compoundscarbonyl compoundscarboxylic acids and derivativeschlorobenzeneshalophenolshydrocarbon derivativesmonoalkylaminesn-acylpyrrolidineso-chlorophenolsorganic oxidesorganochloridesorganonitrogen compoundsorganopnictogen compoundstertiary carboxylic acid amides |
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| Substituents | monocyclic benzene moietycarbonyl grouparomatic heteromonocyclic compoundorganochloriden-acylpyrrolidine1-hydroxy-2-unsubstituted benzenoidorganohalogen compoundorganic oxidetertiary carboxylic acid amideorganonitrogen compoundalpha-amino acidorganopnictogen compoundpyrrolidineorganoheterocyclic compoundamphetamine or derivativesaryl chloride2-chlorophenolchlorobenzenealpha-amino acid amideazacyclecarboxamide grouparyl halide2-halophenolorganic oxygen compoundphenolhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundhalobenzeneorganooxygen compound |
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