| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:51:15 UTC |
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| Update Date | 2025-03-25 00:50:31 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02181403 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H13Cl2NO4 |
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| Molecular Mass | 293.0222 |
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| SMILES | O=C(O)CNCC(O)COc1ccc(Cl)cc1Cl |
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| InChI Key | QGXIRFYIUKXXMZ-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 acids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alkyl aryl ethersamino acidsaryl chloridescarbonyl compoundscarboxylic acidsdialkylaminesdichlorobenzeneshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganochloridesorganopnictogen compoundsphenol ethersphenoxy compoundssecondary alcohols |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidamino acidorganochloridealkyl aryl etherorganohalogen compound1,3-dichlorobenzeneorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundaryl chloridechlorobenzenealcoholsecondary aliphatic aminesecondary aminearyl halidearomatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundsecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundhalobenzenephenoxy compoundorganooxygen compoundamine |
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