| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:38:08 UTC |
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| Update Date | 2025-03-21 17:57:56 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00011132 |
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| Frequency | 417.8 |
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| Structure | |
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| Chemical Formula | C10H14O4S |
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| Molecular Mass | 230.0613 |
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| SMILES | Cc1cccc(C(C)C)c1OS(=O)(=O)O |
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| InChI Key | OEMSPKCLJWERAO-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 | cumeneshydrocarbon derivativesorganic oxidesorganooxygen compoundsphenoxy compoundsphenylpropanessulfuric acid monoesterstoluenes |
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| Substituents | monocyclic benzene moietysulfuric acid monoesterphenylpropanearomatic homomonocyclic compoundphenylsulfateorganic oxideorganic oxygen compoundsulfate-estercumenehydrocarbon derivativebenzenoidphenoxy compoundsulfuric acid estertolueneorganooxygen compound |
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