| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:21:12 UTC |
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| Update Date | 2025-03-25 01:01:31 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02249857 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H12O3S |
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| Molecular Mass | 176.0507 |
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| SMILES | CS(=O)(=O)C1CC=CC(O)C1 |
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| InChI Key | JSAWLLQBLZDQNU-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organosulfur compounds |
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| Class | sulfonyls |
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| Subclass | sulfones |
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| Direct Parent | sulfones |
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| Geometric Descriptor | aliphatic homomonocyclic compounds |
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| Alternative Parents | hydrocarbon derivativesorganic oxidessecondary alcohols |
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| Substituents | alcoholorganic oxideorganic oxygen compoundsecondary alcoholaliphatic homomonocyclic compoundhydrocarbon derivativeorganooxygen compoundsulfone |
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