| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:56:10 UTC |
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| Update Date | 2025-03-21 18:04:50 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00053150 |
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| Frequency | 61.0 |
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| Structure | |
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| Chemical Formula | C9H7Cl2NO3 |
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| Molecular Mass | 246.9803 |
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| SMILES | O=C(O)CNC(=O)c1ccc(Cl)c(Cl)c1 |
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| InChI Key | TVWQKCYNJSKYOP-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 derivatives4-halobenzoic acids and derivativesalpha amino acidsaryl chloridesbenzoyl derivativescarbonyl compoundscarboxylic acidsdichlorobenzeneshippuric 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 compound1,2-dichlorobenzenearyl chloridechlorobenzenehippuric acid or derivativesbenzoic acid or derivativeshalobenzoic acid or derivativescarboxamide groupn-acylglycinearyl halide4-halobenzoic acid or derivativesaromatic homomonocyclic compoundsecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundhalobenzeneorganooxygen compound |
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