| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:04:53 UTC |
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| Update Date | 2025-03-21 18:28:46 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00073868 |
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| Frequency | 40.3 |
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| Structure | |
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| Chemical Formula | C8H8ClNO2 |
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| Molecular Mass | 185.0244 |
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| SMILES | NC(C(=O)O)c1cccc(Cl)c1 |
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| InChI Key | MGOUENCSVMAGSE-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 | aryl chloridescarbonyl compoundscarboxylic acidschlorobenzeneshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganochloridesorganonitrogen compoundsorganopnictogen compounds |
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| Substituents | aryl chloridechlorobenzenemonocyclic benzene moietycarbonyl groupcarboxylic acidorganochlorideorganohalogen compoundaryl halidearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundhalobenzeneorganooxygen compound |
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