| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:59:05 UTC |
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| Update Date | 2025-03-21 18:05:56 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00059994 |
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| Frequency | 52.3 |
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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 | CC(=O)c1cc(O)c(O)c(O)c1C |
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| InChI Key | OPTVGTQTVWJFOD-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 benzenoidsacetophenonesaryl alkyl ketonesbenzoyl derivativeshydrocarbon derivativesmeta cresolsorganic oxidesorganooxygen compoundsortho cresolspara cresolspyrogallols and derivativestoluenes |
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| Substituents | monocyclic benzene moietypyrogallol derivativearyl alkyl ketonem-cresolbenzenetriolbenzoyl1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidaromatic homomonocyclic compoundorganic oxidep-cresolo-cresolacetophenonephenolhydrocarbon derivativebenzenoidtoluenealkyl-phenylketone |
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