| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:52:22 UTC |
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| Update Date | 2025-03-21 18:03:26 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00044230 |
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| Frequency | 76.6 |
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| Structure | |
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| Chemical Formula | C11H14O2 |
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| Molecular Mass | 178.0994 |
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| SMILES | CCCc1ccc(OC(C)=O)cc1 |
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| InChI Key | NAFYQPWOHMIWTQ-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 | phenol esters |
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| Subclass | phenol esters |
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| Direct Parent | phenol esters |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acid estershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesphenoxy compoundsphenylpropanes |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acid derivativephenylpropanearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterphenol esterhydrocarbon derivativephenoxy compoundorganooxygen compound |
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