| Record Information |
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| HMDB Status | expected |
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| Creation Date | 2024-02-20 23:41:28 UTC |
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| Update Date | 2025-03-21 17:59:04 UTC |
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| HMDB ID | HMDB0059933 |
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| Metabolite Identification |
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| DeepMet ID | DMID00018577 |
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| Name | p-Toluenesulfonic acid |
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| Frequency | 222.5 |
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| Structure | |
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| Chemical Formula | C7H8O3S |
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| Molecular Mass | 172.0194 |
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| SMILES | Cc1ccc(S(=O)(=O)O)cc1 |
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| InChI Key | JOXIMZWYDAKGHI-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 | p-methylbenzenesulfonates |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-sulfo,2-unsubstituted aromatic compoundsarylsulfonic acids and derivativesbenzenesulfonyl compoundshydrocarbon derivativesorganic oxidesorganosulfonic acidssulfonylstosyl compounds |
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| Substituents | organosulfonic acid or derivatives1-sulfo,2-unsubstituted aromatic compoundtosyl compoundorganosulfonic acidorganosulfur compoundaromatic homomonocyclic compoundorganic oxidesulfonylorganic oxygen compoundarylsulfonic acid or derivativesorganic sulfonic acid or derivativeshydrocarbon derivativep-methylbenzenesulfonatetoluenebenzenesulfonyl group |
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