| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:50:23 UTC |
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| Update Date | 2025-03-21 18:02:39 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00039420 |
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| Frequency | 88.3 |
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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)c1cc(Cl)ccc1O |
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| InChI Key | ZBGXEYAJLYHQGL-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 derivativesorganic oxidesorganochloridesorganonitrogen compoundsorganopnictogen compoundsp-chlorophenolssalicylamidessecondary carboxylic acid amidesvinylogous acids |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acid3-halobenzoic acid or derivativesorganochloridebenzoyl1-hydroxy-2-unsubstituted benzenoidorganohalogen compoundbenzamideorganic oxide4-halophenolorganonitrogen compoundalpha-amino acidorganopnictogen compoundaryl chloridechlorobenzene4-chlorophenolhippuric acid or derivativesbenzoic acid or derivativeshalobenzoic acid or derivativescarboxamide groupn-acylglycinesalicylamidearyl halidearomatic homomonocyclic compoundsecondary carboxylic acid amidevinylogous acidmonocarboxylic acid or derivativesorganic oxygen compoundsalicylic acid or derivativesphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundhalobenzeneorganooxygen compound |
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