| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:20:00 UTC |
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| Update Date | 2025-03-21 18:36:22 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00110344 |
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| Frequency | 24.2 |
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| Structure | |
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| Chemical Formula | C7H8O4S |
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| Molecular Mass | 188.0143 |
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| SMILES | Cc1ccc(S(=O)(=O)O)cc1O |
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| InChI Key | YARIFRHBFXEJNY-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-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoids1-sulfo,2-unsubstituted aromatic compoundsarylsulfonic acids and derivativesbenzenesulfonyl compoundshydrocarbon derivativesorganic oxidesorganooxygen compoundsorganosulfonic acidsortho cresolssulfonylstoluenes |
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| Substituents | organosulfonic acid or derivatives1-sulfo,2-unsubstituted aromatic compoundorganosulfonic acid1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidorganosulfur compoundaromatic homomonocyclic compoundorganic oxidesulfonylorganic oxygen compoundarylsulfonic acid or derivativesorganic sulfonic acid or derivativeso-cresolphenolhydrocarbon derivativep-methylbenzenesulfonatetolueneorganooxygen compoundbenzenesulfonyl group |
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