| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:05:24 UTC |
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| Update Date | 2025-03-25 00:55:44 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02213869 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H16O2S |
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| Molecular Mass | 212.0871 |
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| SMILES | CCCS(=O)(=O)c1ccc(C)c(C)c1 |
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| InChI Key | WXPMNFTXIXXUDC-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 | hydrocarbon derivativesorganic oxidessulfoneso-xylenes |
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| Substituents | organosulfur compoundaromatic homomonocyclic compoundxyleneorganic oxideo-xylenesulfonylorganic oxygen compoundhydrocarbon derivativesulfonebenzenesulfonyl group |
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