| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:39:27 UTC |
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| Update Date | 2025-03-25 00:46:18 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02154556 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H12O3 |
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| Molecular Mass | 180.0786 |
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| SMILES | COc1ccc(C)c(C(C)=O)c1O |
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| InChI Key | BZLAUZZZVRWIFS-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-4-unsubstituted benzenoidsacetophenonesalkyl aryl ethersanisolesaryl alkyl ketonesbenzoyl derivativeshydrocarbon derivativesmeta cresolsmethoxybenzenesmethoxyphenolsorganic oxidesphenoxy compoundstoluenesvinylogous acids |
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| Substituents | phenol ethermonocyclic benzene moietyetheraryl alkyl ketonebenzoylmethoxyphenolalkyl aryl etherorganic oxideacetophenonem-cresol1-hydroxy-4-unsubstituted benzenoidmethoxybenzenearomatic homomonocyclic compoundvinylogous acidanisolephenolhydrocarbon derivativebenzenoidphenoxy compoundtoluenealkyl-phenylketone |
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