| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:08:16 UTC |
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| Update Date | 2025-03-21 18:30:20 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00082052 |
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| Frequency | 35.2 |
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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 | Cc1ccc(C(C)C)cc1OS(=O)(=O)O |
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| InChI Key | STFQFVOYWIOQOT-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 | aromatic monoterpenoidscumeneshydrocarbon derivativesmonocyclic monoterpenoidsorganic oxidesorganooxygen compoundsphenoxy compoundsphenylpropanessulfuric acid monoesterstoluenes |
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| Substituents | monoterpenoidmonocyclic benzene moietysulfuric acid monoestermonocyclic monoterpenoidp-cymenephenylpropanearomatic homomonocyclic compoundphenylsulfateorganic oxideorganic oxygen compoundsulfate-estercumenehydrocarbon derivativebenzenoidphenoxy compoundsulfuric acid estertolueneorganooxygen compoundaromatic monoterpenoid |
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