| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:11:41 UTC |
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| Update Date | 2025-03-25 00:58:00 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02228104 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H16O3 |
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| Molecular Mass | 232.1099 |
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| SMILES | C=C(C)CCOC(=O)c1ccccc1C(C)=O |
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| InChI Key | CTGAGSBHMJOTPI-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | carbonyl compounds |
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| Direct Parent | alkyl-phenylketones |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | acetophenonesaryl alkyl ketonesbenzoic acid estersbenzoyl derivativescarboxylic acid estershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganooxygen compounds |
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| Substituents | monocyclic benzene moietyaryl alkyl ketonebenzoylbenzoic acid or derivativesbenzoate estercarboxylic acid derivativearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativescarboxylic acid esteracetophenonehydrocarbon derivativebenzenoidalkyl-phenylketone |
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