| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:46:42 UTC |
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| Update Date | 2025-03-21 18:01:02 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00030630 |
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| Frequency | 121.3 |
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| Structure | |
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| Chemical Formula | C13H10O5S |
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| Molecular Mass | 278.0249 |
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| SMILES | O=C(c1ccccc1)c1ccc(OS(=O)(=O)O)cc1 |
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| InChI Key | QJOBWZFQIMVABC-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | benzene and substituted derivatives |
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| Subclass | benzophenones |
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| Direct Parent | benzophenones |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | aryl ketonesaryl-phenylketonesbenzoyl derivativesdiphenylmethaneshydrocarbon derivativesorganic oxidesorganooxygen compoundsphenoxy compoundsphenylsulfatessulfuric acid monoesters |
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| Substituents | diphenylmethanesulfuric acid monoesterorganic sulfuric acid or derivativesaryl-phenylketonebenzoylbenzophenoneketonearomatic homomonocyclic compoundphenylsulfateorganic oxideorganic oxygen compoundsulfate-esterhydrocarbon derivativearylsulfatephenoxy compoundsulfuric acid esterorganooxygen compoundaryl ketone |
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