| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:51:27 UTC |
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| Update Date | 2025-03-25 00:50:34 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02181822 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H10Cl2O4 |
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| Molecular Mass | 323.9956 |
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| SMILES | O=C(O)C(=O)Cc1cccc(Oc2ccc(Cl)cc2Cl)c1 |
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| InChI Key | XWKKZWLSVNLPQT-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 | diphenylethers |
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| Direct Parent | diphenylethers |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alpha-hydroxy ketonesalpha-keto acids and derivativesaryl chloridescarboxylic acidsdiarylethersdichlorobenzeneshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganochloridesphenol ethersphenoxy compoundsphenylpropanoic acidsphenylpyruvic acid derivatives |
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| Substituents | diaryl etherphenol ethercarbonyl groupethercarboxylic acid3-phenylpropanoic-acidorganochloridealpha-hydroxy ketonecarboxylic acid derivativeorganohalogen compound1,3-dichlorobenzeneketoneorganic oxidealpha-keto acidaryl chloridechlorobenzenephenylpyruvatearyl halidearomatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundketo acidhydrocarbon derivativehalobenzenephenoxy compounddiphenyletherorganooxygen compound |
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