| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:17:54 UTC |
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| Update Date | 2025-03-21 18:35:21 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00105192 |
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| Frequency | 25.7 |
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| Structure | |
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| Chemical Formula | C11H10ClNO4 |
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| Molecular Mass | 255.0298 |
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| SMILES | O=C(O)CNC(=O)C=Cc1ccc(O)c(Cl)c1 |
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| InChI Key | APWYKWROMLLWRA-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 | acyl glycines |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalpha amino acidsaryl chloridescarbonyl compoundscarboxylic acidschlorobenzeneshalophenolshydrocarbon derivativeshydroxycinnamic acidsmonocarboxylic acids and derivativeso-chlorophenolsorganic oxidesorganochloridesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amides |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidorganochloride1-hydroxy-2-unsubstituted benzenoidorganohalogen compoundhydroxycinnamic acid or derivativescinnamic acid or derivativesorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundaryl chloride2-chlorophenolchlorobenzenecarboxamide groupn-acylglycinehydroxycinnamic acidaryl halidearomatic homomonocyclic compound2-halophenolsecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundhalobenzeneorganooxygen compound |
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