| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:55:47 UTC |
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| Update Date | 2025-03-21 18:04:42 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00052286 |
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| Frequency | 62.2 |
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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 | O=CCc1cccc(OS(=O)(=O)O)c1 |
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| InChI Key | KMKPEPMQUTYJPZ-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | organic sulfuric acids and derivatives |
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| Subclass | arylsulfates |
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| Direct Parent | phenylsulfates |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alpha-hydrogen aldehydeshydrocarbon derivativesorganic oxidesphenoxy compoundsphenylacetaldehydessulfuric acid monoesters |
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| Substituents | monocyclic benzene moietysulfuric acid monoestercarbonyl groupaldehydearomatic homomonocyclic compoundphenylsulfateorganic oxideorganic oxygen compoundalpha-hydrogen aldehydesulfate-esterhydrocarbon derivativebenzenoidphenoxy compoundsulfuric acid esterorganooxygen compoundphenylacetaldehyde |
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