| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:30:26 UTC |
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| Update Date | 2025-03-21 18:41:35 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00135031 |
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| Frequency | 18.6 |
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| Structure | |
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| Chemical Formula | C11H13ClN2O2 |
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| Molecular Mass | 240.0666 |
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| SMILES | CC(=O)NCCC(=O)Nc1ccc(Cl)cc1 |
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| InChI Key | QXPUPESLMIHOFD-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 | beta amino acids and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | acetamidesanilidesaryl chloridescarbonyl compoundscarboxylic acids and derivativeschlorobenzeneshydrocarbon derivativesn-arylamidesorganic oxidesorganochloridesorganopnictogen compoundssecondary carboxylic acid amides |
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| Substituents | monocyclic benzene moietycarbonyl grouporganochloriden-arylamideorganohalogen compoundorganic oxideorganonitrogen compoundorganopnictogen compoundacetamidearyl chloridechlorobenzenecarboxamide groupbeta amino acid or derivativesaryl halidearomatic homomonocyclic compoundanilidesecondary carboxylic acid amideorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundhalobenzeneorganooxygen compound |
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