| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:02:17 UTC |
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| Update Date | 2025-03-25 00:54:27 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02206459 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H12O3 |
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| Molecular Mass | 204.0786 |
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| SMILES | C=CC(=O)CC(=O)c1ccc(O)c(C)c1 |
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| InChI Key | JEIWHLBFSUTPDF-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 | 1-hydroxy-2-unsubstituted benzenoidsacryloyl compoundsaryl alkyl ketonesbenzoyl derivativesbutyrophenonesenoneshydrocarbon derivativesorganic oxidesortho cresolstoluenes |
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| Substituents | monocyclic benzene moietyaryl alkyl ketonebenzoyl1-hydroxy-2-unsubstituted benzenoidalpha,beta-unsaturated ketonebutyrophenonearomatic homomonocyclic compoundorganic oxideo-cresolphenolhydrocarbon derivativebenzenoidacryloyl-grouptoluenealkyl-phenylketoneenone |
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