| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:37:52 UTC |
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| Update Date | 2025-03-21 17:57:50 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00010501 |
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| Frequency | 448.0 |
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| Structure | |
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| Chemical Formula | C9H7ClO4 |
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| Molecular Mass | 214.0033 |
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| SMILES | O=C(O)C(=O)Cc1ccc(O)c(Cl)c1 |
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| InChI Key | UVZXGDOSSJNLRF-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | benzene and substituted derivatives |
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| Subclass | phenylpyruvic acid derivatives |
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| Direct Parent | phenylpyruvic acid derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalpha-hydroxy ketonesalpha-keto acids and derivativesaryl chloridescarboxylic acidschlorobenzeneshalophenolshydrocarbon derivativesmonocarboxylic acids and derivativeso-chlorophenolsorganic oxidesorganochloridesphenylpropanoic acids |
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| Substituents | carbonyl groupcarboxylic acid3-phenylpropanoic-acidorganochloride1-hydroxy-2-unsubstituted benzenoidalpha-hydroxy ketonecarboxylic acid derivativeorganohalogen compoundketoneorganic oxidealpha-keto acidaryl chloride2-chlorophenolchlorobenzenephenylpyruvatearyl halidearomatic homomonocyclic compound2-halophenolmonocarboxylic acid or derivativesorganic oxygen compoundketo acidphenolhydrocarbon derivativehalobenzeneorganooxygen compound |
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