| Record Information |
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| HMDB Status | expected |
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| Creation Date | 2024-02-20 23:36:01 UTC |
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| Update Date | 2025-03-21 17:57:10 UTC |
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| HMDB ID | HMDB0001309 |
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| Metabolite Identification |
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| DeepMet ID | DMID00006149 |
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| Name | m-Chlorohippuric acid |
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| Frequency | 885.2 |
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| Structure | |
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| Chemical Formula | C9H8ClNO3 |
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| Molecular Mass | 213.0193 |
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| SMILES | O=C(O)CNC(=O)c1cccc(Cl)c1 |
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| InChI Key | ICYUIIJXZHPESK-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 | 3-halobenzoic acids and derivativesalpha amino acidsaryl chloridesbenzoyl derivativescarbonyl compoundscarboxylic acidschlorobenzeneshippuric acids and derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganochloridesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amides |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acid3-halobenzoic acid or derivativesorganochloridebenzoylorganohalogen compoundbenzamideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundaryl chloridechlorobenzenehippuric acid or derivativesbenzoic acid or derivativeshalobenzoic acid or derivativescarboxamide groupn-acylglycinearyl halidearomatic homomonocyclic compoundsecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundhalobenzeneorganooxygen compound |
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