| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:08:48 UTC |
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| Update Date | 2025-03-25 00:56:57 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02221705 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H16O5 |
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| Molecular Mass | 300.0998 |
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| SMILES | O=C(O)CCC(=O)Cc1ccc(Oc2ccc(O)cc2)cc1 |
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| InChI Key | WRDXYMAGCNYFDS-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 | 1-hydroxy-2-unsubstituted benzenoidscarbocyclic fatty acidscarboxylic acidsdiarylethersfatty acylsgamma-keto acids and derivativeshydrocarbon derivativeshydroxy fatty acidsketonesmedium-chain keto acids and derivativesmonocarboxylic acids and derivativesorganic oxidesphenol ethersphenoxy compounds |
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| Substituents | diaryl etherfatty acylcarbocyclic fatty acidphenol ethercarbonyl groupethercarboxylic acid1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativeketoneorganic oxidehydroxy fatty acidgamma-keto acidaromatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundketo acidphenolhydrocarbon derivativephenoxy compounddiphenyletherorganooxygen compoundmedium-chain keto acid |
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