| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:43:20 UTC |
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| Update Date | 2025-03-21 17:59:42 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00022758 |
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| Frequency | 173.8 |
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| Structure | |
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| Chemical Formula | C16H16O5 |
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| Molecular Mass | 288.0998 |
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| SMILES | COc1cc(CCC(=O)O)ccc1Oc1ccc(O)cc1 |
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| InChI Key | PPAXDYQZBAKMFM-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 benzenoidsalkyl aryl ethersanisolescarbonyl compoundscarboxylic acidsdiarylethershydrocarbon derivativesmethoxybenzenesmonocarboxylic acids and derivativesorganic oxidesphenoxy compoundsphenylpropanoic acids |
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| Substituents | diaryl etherphenol ethercarbonyl groupethercarboxylic acid3-phenylpropanoic-acid1-hydroxy-2-unsubstituted benzenoidalkyl aryl ethercarboxylic acid derivativemethoxybenzenearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundanisolephenolhydrocarbon derivativephenoxy compounddiphenyletherorganooxygen compound |
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