| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:04:36 UTC |
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| Update Date | 2025-03-21 18:28:38 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00073183 |
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| Frequency | 40.7 |
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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 | Cc1cccc(OS(C)(=O)=O)c1O |
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| InChI Key | IXPLRTRLGTYCHW-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 | phenols |
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| Subclass | cresols |
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| Direct Parent | ortho cresols |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-4-unsubstituted benzenoidshydrocarbon derivativesmethanesulfonatesorganic oxidesorganooxygen compoundsorganosulfonic acid estersphenoxy compoundssulfonic acid esterssulfonylstoluenes |
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| Substituents | organosulfonic acid or derivativesmonocyclic benzene moiety1-hydroxy-4-unsubstituted benzenoidorganosulfur compoundorganosulfonic acid esteraromatic homomonocyclic compoundsulfonic acid estermethanesulfonateorganic oxidesulfonylorganic oxygen compoundorganic sulfonic acid or derivativeso-cresolhydrocarbon derivativephenoxy compoundtolueneorganooxygen compound |
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