| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:03:11 UTC |
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| Update Date | 2025-03-21 18:07:30 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00069787 |
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| Frequency | 43.2 |
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| Structure | |
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| Chemical Formula | C9H7ClO3 |
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| Molecular Mass | 198.0084 |
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| SMILES | O=C(O)C(=O)Cc1cccc(Cl)c1 |
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| InChI Key | RQLSQGBGWWZKEL-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 | alpha-hydroxy ketonesalpha-keto acids and derivativesaryl chloridescarboxylic acidschlorobenzeneshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganochloridesphenylpropanoic acids |
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| Substituents | aryl chloridechlorobenzenecarbonyl groupcarboxylic acidphenylpyruvate3-phenylpropanoic-acidorganochloridealpha-hydroxy ketonecarboxylic acid derivativeorganohalogen compoundaryl halideketonearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundketo acidalpha-keto acidhydrocarbon derivativehalobenzeneorganooxygen compound |
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