| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:17:57 UTC |
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| Update Date | 2025-03-25 01:00:21 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02242282 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H16ClNO3 |
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| Molecular Mass | 257.0819 |
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| SMILES | CC(C)NC(Cc1ccc(O)c(Cl)c1)C(=O)O |
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| InChI Key | RCZNUBZNNILRJM-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 benzenoidsalpha amino acidsamino acidsamphetamines and derivativesaryl chloridescarbonyl compoundscarboxylic acidschlorobenzenesdialkylamineshalophenolshydrocarbon derivativesmonocarboxylic acids and derivativeso-chlorophenolsorganic oxidesorganochloridesorganopnictogen compoundsphenylalanine and derivativesphenylpropanoic acids |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acid3-phenylpropanoic-acidamino acidorganochloride1-hydroxy-2-unsubstituted benzenoidorganohalogen compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundamphetamine or derivativesaryl chloride2-chlorophenolchlorobenzenesecondary aliphatic aminetyrosine or derivativessecondary aminearyl halidearomatic homomonocyclic compound2-halophenolmonocarboxylic acid or derivativesphenylalanine or derivativesorganic oxygen compoundphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundhalobenzeneorganooxygen compoundamine |
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