| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:01:46 UTC |
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| Update Date | 2025-03-25 00:54:17 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02205285 |
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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 | NCC(O)(Cc1ccc(O)c(Cl)c1)C(=O)O |
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| InChI Key | YMYPOHUQQRVMQS-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 | beta amino acids and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalpha hydroxy acids and derivativesaryl chloridescarbonyl compoundscarboxylic acidschlorobenzeneshalophenolshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativeso-chlorophenolsorganic oxidesorganochloridesorganonitrogen compoundsorganopnictogen compoundsphenylpropanoic acidstertiary alcohols |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acid3-phenylpropanoic-acidorganochloridealpha-hydroxy acid1-hydroxy-2-unsubstituted benzenoidorganohalogen compoundorganic oxideorganonitrogen compoundorganopnictogen compoundaryl chloride2-chlorophenolchlorobenzenealcoholhydroxy acidbeta amino acid or derivativesaryl halidearomatic homomonocyclic compound2-halophenoltertiary alcoholmonocarboxylic acid or derivativesorganic oxygen compoundphenolhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundhalobenzeneorganooxygen compound |
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