| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:04:23 UTC |
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| Update Date | 2025-03-21 18:28:33 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00072646 |
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| Frequency | 41.1 |
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| Structure | |
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| Chemical Formula | C9H9ClN2O3 |
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| Molecular Mass | 228.0302 |
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| SMILES | O=C(O)CNC(=O)Nc1ccc(Cl)cc1 |
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| InChI Key | RFHMXKFYEJYINJ-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-carbamoyl-alpha amino acids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alpha amino acidsaryl chloridescarbonyl compoundscarboxylic acidschlorobenzeneshydrocarbon derivativesmonocarboxylic acids and derivativesn-phenylureasorganic carbonic acids and derivativesorganic oxidesorganochloridesorganonitrogen compoundsorganopnictogen compounds |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidorganochlorideorganohalogen compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundaryl chloridechlorobenzenecarbonic acid derivativen-carbamoyl-alpha-amino acidaryl halidearomatic homomonocyclic compoundn-phenylureamonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundhalobenzeneorganooxygen compound |
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