| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:03:07 UTC |
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| Update Date | 2025-03-25 00:54:45 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02208410 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H12O3S |
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| Molecular Mass | 200.0507 |
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| SMILES | CC(C)S(=O)(=O)c1ccccc1O |
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| InChI Key | IWURHIKBBLCEAP-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 | benzenesulfonyl compounds |
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| Direct Parent | benzenesulfonyl compounds |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidshydrocarbon derivativesorganic oxidesorganooxygen compoundssulfones |
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| Substituents | 1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidorganosulfur compoundaromatic homomonocyclic compoundorganic oxidesulfonylorganic oxygen compoundphenolhydrocarbon derivativeorganooxygen compoundsulfonebenzenesulfonyl group |
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