| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:41:36 UTC |
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| Update Date | 2025-03-21 17:59:07 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00018885 |
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| Frequency | 218.2 |
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| Structure | |
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| Chemical Formula | C9H10O5S |
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| Molecular Mass | 230.0249 |
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| SMILES | CC(=O)c1ccc(C)cc1OS(=O)(=O)O |
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| InChI Key | GOVSFHRQPYNWBS-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 | acetophenonesaryl alkyl ketonesbenzoyl derivativeshydrocarbon derivativesorganic oxidesorganooxygen compoundsphenoxy compoundsphenylsulfatessulfuric acid monoesterstoluenes |
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| Substituents | monocyclic benzene moietysulfuric acid monoesterorganic sulfuric acid or derivativesaryl alkyl ketonebenzoylaromatic homomonocyclic compoundphenylsulfateorganic oxideacetophenonesulfate-esterhydrocarbon derivativearylsulfatebenzenoidphenoxy compoundsulfuric acid estertoluenealkyl-phenylketone |
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