| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:00:31 UTC |
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| Update Date | 2025-03-25 00:53:51 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02202427 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H8O3S2 |
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| Molecular Mass | 203.9915 |
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| SMILES | CSc1ccccc1S(=O)(=O)O |
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| InChI Key | QPKPOKVMKXYSNW-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 compoundsalkylarylthioethersarylsulfonic acids and derivativesbenzenesulfonyl compoundshydrocarbon derivativesorganic oxidesorganosulfonic acidssulfenyl compoundssulfonylsthiophenol ethersthiophenols |
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| Substituents | organosulfonic acid or derivativessulfenyl compound1-sulfo,2-unsubstituted aromatic compoundorganosulfonic acidbenzenesulfonatealkylarylthioetherorganosulfur compoundaryl thioetheraromatic homomonocyclic compoundorganic oxidesulfonylthiophenolorganic oxygen compoundarylsulfonic acid or derivativesorganic sulfonic acid or derivativesthioetherthiophenol etherhydrocarbon derivativebenzenesulfonyl group |
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