| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:13:16 UTC |
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| Update Date | 2025-03-21 18:33:01 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00093880 |
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| Frequency | 29.7 |
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| Structure | |
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| Chemical Formula | C16H16O4 |
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| Molecular Mass | 272.1049 |
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| SMILES | COc1cc(CCC(=O)O)ccc1Oc1ccccc1 |
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| InChI Key | PIWLLIZLOQCTMA-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 aryl ethersanisolescarbonyl compoundscarboxylic acidsdiarylethershydrocarbon derivativesmethoxybenzenesmonocarboxylic acids and derivativesorganic oxidesphenoxy compoundsphenylpropanoic acids |
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| Substituents | diaryl etherphenol ethercarbonyl groupethercarboxylic acid3-phenylpropanoic-acidalkyl aryl ethercarboxylic acid derivativemethoxybenzenearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundanisolehydrocarbon derivativephenoxy compounddiphenyletherorganooxygen compound |
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