| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:17:07 UTC |
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| Update Date | 2025-03-21 18:34:58 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00103266 |
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| Frequency | 26.3 |
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| Structure | |
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| Chemical Formula | C12H14ClN3O3 |
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| Molecular Mass | 283.0724 |
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| SMILES | N=C(NCCCC(=O)C(=O)O)Nc1ccc(Cl)cc1 |
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| InChI Key | ZCLBDTRYBIKYPO-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 | halobenzenes |
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| Direct Parent | chlorobenzenes |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alpha-hydroxy ketonesalpha-keto acids and derivativesaryl chloridescarboximidamidescarboxylic acidsguanidineshydrocarbon derivativesiminesmonocarboxylic acids and derivativesorganic oxidesorganochloridesorganopnictogen compounds |
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| Substituents | carbonyl groupcarboxylic acidguanidineimineorganochloridealpha-hydroxy ketonecarboxylic acid derivativeorganohalogen compoundketoneorganic oxideorganonitrogen compoundalpha-keto acidorganopnictogen compoundaryl chloridechlorobenzenecarboximidamidearyl halidearomatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundketo acidhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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