| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:37:09 UTC |
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| Update Date | 2025-03-25 00:45:26 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02149123 |
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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 | CS(=O)CCC(C)(O)c1ccccc1 |
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| InChI Key | OLPUNIABQQTOQY-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 | benzene and substituted derivatives |
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| Direct Parent | benzene and substituted derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | aromatic alcoholshydrocarbon derivativesorganic oxidessulfinyl compoundssulfoxidestertiary alcohols |
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| Substituents | aromatic alcoholalcoholmonocyclic benzene moietyorganosulfur compoundaromatic homomonocyclic compoundtertiary alcoholorganic oxideorganic oxygen compoundsulfinyl compoundsulfoxidehydrocarbon derivativeorganooxygen compound |
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