| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:49:17 UTC |
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| Update Date | 2025-03-25 00:49:49 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02176876 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H12O4S |
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| Molecular Mass | 228.0456 |
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| SMILES | COS(=O)(=O)OC(C)=Cc1ccccc1 |
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| InChI Key | OMKLIPGQDPQYDG-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 | sulfuric acid esters |
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| Direct Parent | sulfuric acid diesters |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alkyl sulfatesbenzene and substituted derivativeshydrocarbon derivativesorganic oxidesorganooxygen compounds |
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| Substituents | aromatic homomonocyclic compoundmonocyclic benzene moietyorganic oxideorganic oxygen compoundsulfuric acid diesteralkyl sulfatehydrocarbon derivativebenzenoidorganooxygen compound |
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