| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:54:55 UTC |
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| Update Date | 2025-03-25 00:51:51 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02189744 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H16O2S |
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| Molecular Mass | 224.0871 |
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| SMILES | C=CCS(=O)(=O)c1ccccc1C(C)C |
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| InChI Key | BZQFJYBIIQJTAV-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 | cumenes |
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| Direct Parent | cumenes |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | allyl sulfur compoundsbenzenesulfonyl compoundshydrocarbon derivativesorganic oxidesphenylpropanessulfones |
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| Substituents | allyl sulfur compoundorganosulfur compoundphenylpropanearomatic homomonocyclic compoundorganic oxidesulfonylorganic oxygen compoundcumenehydrocarbon derivativesulfonebenzenesulfonyl group |
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