| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:12:32 UTC |
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| Update Date | 2025-03-25 00:58:18 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02229933 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H20ClNO4 |
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| Molecular Mass | 313.1081 |
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| SMILES | CCCCCC(O)=NC(Cc1ccc(O)c(Cl)c1)C(=O)O |
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| InChI Key | LBQQRFSZHMUUNK-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 acidsamphetamines and derivativesaryl chloridescarbonyl compoundscarboximidic acidscarboxylic acidschlorobenzeneshalophenolshydrocarbon derivativesmonocarboxylic acids and derivativeso-chlorophenolsorganic oxidesorganochloridesorganonitrogen compoundsorganopnictogen compoundsphenylalanine and derivativesphenylpropanoic acidspropargyl-type 1,3-dipolar organic compounds |
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| Substituents | carboximidic acidmonocyclic benzene moietycarbonyl groupcarboxylic acid3-phenylpropanoic-acidorganochloride1-hydroxy-2-unsubstituted benzenoidorganohalogen compoundpropargyl-type 1,3-dipolar organic compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundamphetamine or derivativesaryl chloride2-chlorophenolchlorobenzenetyrosine or derivativesorganic 1,3-dipolar compoundaryl halidearomatic homomonocyclic compound2-halophenolmonocarboxylic acid or derivativesphenylalanine or derivativesorganic oxygen compoundphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundhalobenzeneorganooxygen compound |
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