| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:00:00 UTC |
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| Update Date | 2025-03-25 00:53:41 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02201287 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H10O4 |
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| Molecular Mass | 182.0579 |
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| SMILES | COc1c(C(C)=O)ccc(O)c1O |
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| InChI Key | YQFVHMURFLVSHG-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 benzenoids1-hydroxy-4-unsubstituted benzenoidsacetophenonesalkyl aryl ethersanisolesaryl alkyl ketonesbenzoyl derivativeshydrocarbon derivativesmethoxybenzenesmethoxyphenolsorganic oxidesphenoxy compounds |
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| Substituents | phenol ethermonocyclic benzene moietyetheraryl alkyl ketonemethoxyphenolbenzoyl1-hydroxy-2-unsubstituted benzenoidalkyl aryl etherorganic oxideacetophenone1-hydroxy-4-unsubstituted benzenoidmethoxybenzenearomatic homomonocyclic compoundanisolephenolhydrocarbon derivativebenzenoidphenoxy compoundalkyl-phenylketone |
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