| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:03:52 UTC |
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| Update Date | 2025-03-21 18:28:22 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00071398 |
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| Frequency | 42.0 |
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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 | Cc1ccc(C)c(OS(C)(=O)=O)c1 |
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| InChI Key | SRHWWXIRDISSAE-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 | xylenes |
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| Direct Parent | p-xylenes |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | hydrocarbon derivativesmethanesulfonatesorganic oxidesorganooxygen compoundsorganosulfonic acid estersphenoxy compoundssulfonic acid esterssulfonyls |
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| Substituents | organosulfonic acid or derivativesorganosulfur compoundorganosulfonic acid esteraromatic homomonocyclic compoundsulfonic acid estermethanesulfonateorganic oxidep-xylenesulfonylorganic oxygen compoundorganic sulfonic acid or derivativeshydrocarbon derivativephenoxy compoundorganooxygen compound |
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