| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:43:26 UTC |
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| Update Date | 2025-03-25 00:47:41 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02163412 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H12O5 |
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| Molecular Mass | 284.0685 |
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| SMILES | O=C(O)C(=O)CC(=O)c1cccc(Oc2ccccc2)c1 |
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| InChI Key | RSLTYLKWAOZHJA-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 | alkyl-phenylketonesalpha-hydroxy ketonesalpha-keto acids and derivativesaryl alkyl ketonesbenzoyl derivativesbutyrophenonescarboxylic acidsdiarylethersgamma-keto acids and derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesphenol ethersphenoxy compounds |
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| Substituents | diaryl etherphenol ethercarbonyl groupethercarboxylic acidaryl alkyl ketonebenzoylalpha-hydroxy ketonecarboxylic acid derivativeketoneorganic oxidealpha-keto acidphenylketonegamma-keto acidbutyrophenonearomatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundketo acidhydrocarbon derivativephenoxy compounddiphenyletheralkyl-phenylketoneorganooxygen compoundaryl ketone |
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