| Record Information |
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| HMDB Status | expected |
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| Creation Date | 2024-02-20 23:35:56 UTC |
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| Update Date | 2025-03-21 17:57:08 UTC |
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| HMDB ID | HMDB0032073 |
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| Metabolite Identification |
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| DeepMet ID | DMID00005967 |
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| Name | o-Tolyl acetate |
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| Frequency | 879.9 |
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| Structure | |
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| Chemical Formula | C9H10O2 |
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| Molecular Mass | 150.0681 |
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| SMILES | CC(=O)Oc1ccccc1C |
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| InChI Key | AMZORBZSQRUXNC-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 compoundstoluenes |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acid derivativearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterphenol esterhydrocarbon derivativephenoxy compoundtolueneorganooxygen compound |
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