| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:20:30 UTC |
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| Update Date | 2025-03-25 01:01:17 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02248254 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H13ClN2O2 |
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| Molecular Mass | 228.0666 |
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| SMILES | NC(=O)CC(N)Cc1ccc(O)c(Cl)c1 |
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| InChI Key | UHOXRJDSKQJZJG-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 benzenoidsamphetamines and derivativesaryl chloridescarbonyl compoundscarboxylic acids and derivativeschlorobenzenesfatty amideshalophenolshydrocarbon derivativesmonoalkylamineso-chlorophenolsorganic oxidesorganochloridesorganonitrogen compoundsorganopnictogen compoundsprimary carboxylic acid amides |
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| Substituents | primary carboxylic acid amidefatty acylmonocyclic benzene moietycarbonyl grouporganochloridefatty amide1-hydroxy-2-unsubstituted benzenoidorganohalogen compoundorganic oxideorganonitrogen compoundorganopnictogen compoundamphetamine or derivativesaryl chloride2-chlorophenolchlorobenzenecarboxamide groupbeta amino acid or derivativesaryl halidearomatic homomonocyclic compound2-halophenolorganic oxygen compoundphenolhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundhalobenzeneorganooxygen compound |
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