| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:47:53 UTC |
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| Update Date | 2025-03-21 18:01:33 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00033467 |
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| Frequency | 108.4 |
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| Structure | |
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| Chemical Formula | C8H10O3S |
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| Molecular Mass | 186.0351 |
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| SMILES | Cc1ccc(C)c(S(=O)(=O)O)c1 |
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| InChI Key | IRLYGRLEBKCYPY-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 | benzenesulfonic acids and derivatives |
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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 acidssulfonylsp-xylenes |
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| Substituents | organosulfonic acid or derivatives1-sulfo,2-unsubstituted aromatic compoundorganosulfonic acidbenzenesulfonateorganosulfur compoundaromatic homomonocyclic compoundxyleneorganic oxidep-xylenesulfonylorganic oxygen compoundarylsulfonic acid or derivativesorganic sulfonic acid or derivativeshydrocarbon derivativebenzenesulfonyl group |
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