| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:19:10 UTC |
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| Update Date | 2025-03-25 01:00:51 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02245161 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H10ClNO3 |
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| Molecular Mass | 215.0349 |
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| SMILES | CN(CC(=O)O)c1ccc(O)c(Cl)c1 |
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| InChI Key | YKKSMPLDHRDLPC-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 benzenoidsamino acidsaniline and substituted anilinesaryl chloridescarbonyl compoundscarboxylic acidschlorobenzenesdialkylarylamineshalophenolshydrocarbon derivativesmonocarboxylic acids and derivativeso-chlorophenolsorganic oxidesorganochloridesorganopnictogen compoundsp-aminophenols |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidamino acidorganochloride1-hydroxy-2-unsubstituted benzenoidorganohalogen compoundorganic oxidetertiary aliphatic/aromatic aminealpha-amino acidorganonitrogen compoundorganopnictogen compounddialkylarylaminetertiary aminearyl chloride2-chlorophenolchlorobenzeneaniline or substituted anilinesaminophenolaryl halidearomatic homomonocyclic compound2-halophenolmonocarboxylic acid or derivativesorganic oxygen compoundp-aminophenolphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundhalobenzeneamineorganooxygen compound |
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