| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:52:44 UTC |
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| Update Date | 2025-03-25 00:51:05 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02184674 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H12ClNO4 |
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| Molecular Mass | 245.0455 |
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| SMILES | NC(CCc1cc(O)c(O)cc1Cl)C(=O)O |
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| InChI Key | DAANUFFKEWBFGB-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 | 1-hydroxy-2-unsubstituted benzenoids4-chlorocatecholsaryl chloridescarbonyl compoundscarboxylic acidschlorobenzeneshalophenolshydrocarbon derivativesm-chlorophenolsmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganochloridesorganonitrogen compoundsorganopnictogen compoundsp-chlorophenols |
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| Substituents | 4-chlorocatecholmonocyclic benzene moietycarbonyl groupcarboxylic acidorganochloride1-hydroxy-2-unsubstituted benzenoidchlorocatecholorganohalogen compoundcatecholorganic oxide4-halophenolorganonitrogen compoundalpha-amino acidorganopnictogen compoundaryl chloridechlorobenzene3-halophenol3-chlorophenol4-chlorophenolaryl halidearomatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundphenolhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundhalobenzeneorganooxygen compound |
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