| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:49:25 UTC |
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| Update Date | 2025-03-25 00:49:52 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02177204 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H10O4S |
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| Molecular Mass | 202.03 |
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| SMILES | COS(=O)(=O)c1c(C)cccc1O |
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| InChI Key | JVUBJRQXBVJGSN-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 | benzenesulfonic acids and derivatives |
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| Direct Parent | benzenesulfonate esters |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsarylsulfonic acids and derivativesbenzenesulfonyl compoundshydrocarbon derivativesmeta cresolsorganic oxidesorganooxygen compoundsorganosulfonic acid esterssulfonylstoluenes |
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| Substituents | organosulfonic acid or derivativesbenzenesulfonate esterm-cresol1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidorganosulfur compoundorganosulfonic acid esteraromatic homomonocyclic compoundorganic oxidesulfonylorganic oxygen compoundarylsulfonic acid or derivativesorganic sulfonic acid or derivativesphenolhydrocarbon derivativetolueneorganooxygen compoundbenzenesulfonyl group |
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