| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:02:17 UTC |
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| Update Date | 2025-03-25 00:54:27 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02206446 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H15ClN2O4 |
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| Molecular Mass | 286.072 |
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| SMILES | NC(CCCOC(=O)Nc1ccc(Cl)cc1)C(=O)O |
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| InChI Key | KZZIXLOBMVZAPF-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | benzene and substituted derivatives |
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| Subclass | phenylcarbamic acid esters |
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| Direct Parent | phenylcarbamic acid esters |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alpha amino acidsaryl chloridescarbamate esterscarbonyl compoundscarboxylic acidschlorobenzeneshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic carbonic acids and derivativesorganic oxidesorganochloridesorganonitrogen compoundsorganopnictogen compounds |
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| Substituents | carbonyl groupcarboxylic acidorganochloridealpha-amino acid or derivativescarboxylic acid derivativeorganohalogen compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundaryl chloridechlorobenzenecarbonic acid derivativecarbamic acid esteraryl halidearomatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeprimary aliphatic aminephenylcarbamic acid esterorganic nitrogen compoundhalobenzeneorganooxygen compound |
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