| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:42:07 UTC |
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| Update Date | 2025-03-21 17:59:18 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00020048 |
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| Frequency | 214.8 |
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| Structure | |
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| Chemical Formula | C9H8ClNO4 |
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| Molecular Mass | 229.0142 |
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| SMILES | O=C(O)CNC(=O)c1ccc(O)c(Cl)c1 |
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| InChI Key | XJEFUFUWOKGPND-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 | acyl glycines |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids3-halobenzoic acids and derivativesalpha amino acidsaryl chloridesbenzoyl derivativescarbonyl compoundscarboxylic acidschlorobenzeneshalophenolshippuric acids and derivativeshydrocarbon derivativesmonocarboxylic acids and derivativeso-chlorophenolsorganic oxidesorganochloridesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amides |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acid3-halobenzoic acid or derivativesorganochloridebenzoyl1-hydroxy-2-unsubstituted benzenoidorganohalogen compoundbenzamideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundaryl chloride2-chlorophenolchlorobenzenehippuric acid or derivativesbenzoic acid or derivativeshalobenzoic acid or derivativescarboxamide groupn-acylglycinearyl halidearomatic homomonocyclic compound2-halophenolsecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundhalobenzeneorganooxygen compound |
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