| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:55:37 UTC |
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| Update Date | 2025-03-21 18:04:37 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00051912 |
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| Frequency | 62.8 |
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| Structure | |
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| Chemical Formula | C9H9ClN2O3 |
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| Molecular Mass | 228.0302 |
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| SMILES | Nc1ccc(C(=O)NCC(=O)O)cc1Cl |
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| InChI Key | NNMGDVDKZJDQDO-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 acidsamino acidsaryl chloridesbenzoyl derivativescarbonyl compoundscarboxylic acidschlorobenzeneshippuric acids and derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganochloridesorganopnictogen compoundsprimary aminessecondary carboxylic acid amides |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidamino 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 derivativebenzenoidprimary amineorganic nitrogen compoundhalobenzeneamineorganooxygen compound |
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