| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:23:36 UTC |
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| Update Date | 2025-03-21 18:38:07 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00119098 |
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| Frequency | 21.9 |
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| Structure | |
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| Chemical Formula | C9H10ClNO4 |
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| Molecular Mass | 231.0298 |
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| SMILES | NC(Cc1cc(O)c(O)cc1Cl)C(=O)O |
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| InChI Key | VWMFGQCEGVXCDL-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 benzenoids4-chlorocatecholsalpha amino acidsamphetamines and derivativesaryl chloridescarbonyl compoundscarboxylic acidschlorobenzeneshalophenolshydrocarbon derivativesm-chlorophenolsmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganochloridesorganonitrogen compoundsorganopnictogen compoundsp-chlorophenolsphenylalanine and derivativesphenylpropanoic acids |
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| Substituents | 4-chlorocatecholmonocyclic benzene moietycarbonyl groupcarboxylic acid3-phenylpropanoic-acidorganochloride1-hydroxy-2-unsubstituted benzenoidchlorocatecholorganohalogen compoundcatecholorganic oxide4-halophenolorganonitrogen compoundalpha-amino acidorganopnictogen compoundamphetamine or derivativesaryl chloridechlorobenzene3-halophenol3-chlorophenoltyrosine or derivatives4-chlorophenolaryl halidearomatic homomonocyclic compoundmonocarboxylic acid or derivativesphenylalanine or derivativesorganic oxygen compoundphenolhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundhalobenzeneorganooxygen compound |
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