| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:22:25 UTC |
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| Update Date | 2025-03-25 01:01:56 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02252630 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H10ClNO3 |
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| Molecular Mass | 227.0349 |
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| SMILES | NC(CC(=O)C(=O)O)c1cccc(Cl)c1 |
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| InChI Key | JSWSTRAMQOSZQW-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 | gamma amino acids and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alpha-hydroxy ketonesalpha-keto acids and derivativesaryl chloridescarboxylic acidschlorobenzeneshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganochloridesorganonitrogen compoundsorganopnictogen compounds |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidgamma amino acid or derivativesorganochloridealpha-hydroxy ketoneorganohalogen compoundketoneorganic oxideorganonitrogen compoundalpha-keto acidorganopnictogen compoundaryl chloridechlorobenzenearyl halidearomatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundketo acidhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundhalobenzeneorganooxygen compound |
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