| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:17:59 UTC |
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| Update Date | 2025-03-25 01:00:22 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02242367 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H16O2S |
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| Molecular Mass | 188.0871 |
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| SMILES | C=CCS(=O)(=O)CCCC=CC |
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| InChI Key | CQQPMGMNNVIFSW-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 acyclic compounds |
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| Alternative Parents | allyl sulfur compoundshydrocarbon derivativesorganic oxides |
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| Substituents | aliphatic acyclic compoundorganic oxideorganic oxygen compoundallyl sulfur compoundhydrocarbon derivativesulfone |
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