| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:31:00 UTC |
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| Update Date | 2025-03-21 18:41:50 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00136330 |
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| Frequency | 18.4 |
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| Structure | |
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| Chemical Formula | C11H14O3 |
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| Molecular Mass | 194.0943 |
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| SMILES | CC(C)OC(=O)Cc1ccc(O)cc1 |
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| InChI Key | JKBWCOBNULKQJY-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 | phenols |
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| Subclass | 1-hydroxy-2-unsubstituted benzenoids |
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| Direct Parent | 1-hydroxy-2-unsubstituted benzenoids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | benzene and substituted derivativescarbonyl compoundscarboxylic acid estershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxides |
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| Substituents | monocyclic benzene moietycarbonyl group1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativeorganooxygen compound |
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