| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:20:28 UTC |
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| Update Date | 2025-03-25 01:01:16 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02248176 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H8O6S |
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| Molecular Mass | 232.0042 |
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| SMILES | Cc1cccc(O)c1OS(=O)(=O)C(=O)O |
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| InChI Key | PFDOMCVSOXXVJB-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 | meta cresols |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsacylsulfonic acids and derivativescarbonyl compoundshydrocarbon derivativesorganic carbonic acids and derivativesorganic oxidesphenoxy compoundssulfonic acid esterssulfonylsthiolactonestoluenes |
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| Substituents | monocyclic benzene moietycarbonyl groupcarbonic acid derivativem-cresolacylsulfonic acid or derivatives1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidorganosulfur compoundaromatic homomonocyclic compoundsulfonic acid esterorganic oxidesulfonylorganic oxygen compoundorganic sulfonic acid or derivativeshydrocarbon derivativephenoxy compoundtoluenethiolactoneorganooxygen compound |
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