| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:35:32 UTC |
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| Update Date | 2025-03-21 17:57:01 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00005066 |
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| Frequency | 1087.4 |
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| Structure | |
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| Chemical Formula | C11H12ClNO4 |
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| Molecular Mass | 257.0455 |
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| SMILES | CC(=O)NC(Cc1ccc(O)c(Cl)c1)C(=O)O |
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| InChI Key | APDUUXFQFXCZKF-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 | tyrosine and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsacetamidesalpha amino acidsamphetamines and derivativesaryl chloridescarbonyl compoundscarboxylic acidschlorobenzeneshalophenolshydrocarbon derivativesmonocarboxylic acids and derivativesn-acyl-alpha amino acidso-chlorophenolsorganic oxidesorganochloridesorganonitrogen compoundsorganopnictogen compoundsphenylalanine and derivativesphenylpropanoic acidssecondary carboxylic acid amides |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acid3-phenylpropanoic-acidorganochloride1-hydroxy-2-unsubstituted benzenoidorganohalogen compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundacetamideamphetamine or derivativesn-acyl-alpha amino acid or derivativesaryl chloride2-chlorophenolchlorobenzenetyrosine or derivativesn-acyl-alpha-amino acidcarboxamide grouparyl halidearomatic homomonocyclic compound2-halophenolsecondary carboxylic acid amidemonocarboxylic acid or derivativesphenylalanine or derivativesorganic oxygen compoundphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundhalobenzeneorganooxygen compound |
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