| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:38:49 UTC |
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| Update Date | 2025-03-21 17:58:11 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00012754 |
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| Frequency | 354.6 |
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| Structure | |
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| Chemical Formula | C8H8O5S |
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| Molecular Mass | 216.0092 |
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| SMILES | CC(=O)c1ccccc1OS(=O)(=O)O |
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| InChI Key | FDRCXEWKDMDDQD-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 monoesters |
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| Substituents | monocyclic benzene moietysulfuric acid monoesterorganic sulfuric acid or derivativesaryl alkyl ketonebenzoylaromatic homomonocyclic compoundphenylsulfateorganic oxideacetophenonesulfate-esterhydrocarbon derivativearylsulfatebenzenoidphenoxy compoundsulfuric acid esteralkyl-phenylketone |
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