| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:36:34 UTC |
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| Update Date | 2025-03-21 17:57:22 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00007453 |
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| Frequency | 677.8 |
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| Structure | |
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| Chemical Formula | C9H10O3 |
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| Molecular Mass | 166.063 |
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| SMILES | COc1ccc(O)c(C(C)=O)c1 |
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| InChI Key | MLIBGOFSXXWRIY-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 benzenoids4-alkoxyphenolsacetophenonesalkyl aryl ethersanisolesaryl alkyl ketonesbenzoyl derivativeshydrocarbon derivativesmethoxybenzenesmethoxyphenolsorganic oxidesphenoxy compoundsvinylogous acids |
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| Substituents | phenol ethermonocyclic benzene moietyetheraryl alkyl ketonebenzoylmethoxyphenol1-hydroxy-2-unsubstituted benzenoidalkyl aryl etherorganic oxideacetophenone4-alkoxyphenolmethoxybenzenearomatic homomonocyclic compoundvinylogous acidanisolephenolhydrocarbon derivativebenzenoidphenoxy compoundalkyl-phenylketone |
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