| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:16:32 UTC |
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| Update Date | 2025-03-25 00:59:45 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02239037 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H8ClNO3 |
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| Molecular Mass | 201.0193 |
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| SMILES | NC(C(=O)O)c1ccc(Cl)c(O)c1 |
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| InChI Key | ILLJJMGOHHXXPS-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 benzenoids1-hydroxy-4-unsubstituted benzenoidsaryl chloridescarbonyl compoundscarboxylic acidschlorobenzeneshalophenolshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativeso-chlorophenolsorganic oxidesorganochloridesorganonitrogen compoundsorganopnictogen compounds |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidorganochloride1-hydroxy-2-unsubstituted benzenoidorganohalogen compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundaryl chloride2-chlorophenolchlorobenzene1-hydroxy-4-unsubstituted benzenoidaryl halidearomatic homomonocyclic compound2-halophenolmonocarboxylic acid or derivativesorganic oxygen compoundphenolhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundhalobenzeneorganooxygen compound |
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