| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:53:35 UTC |
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| Update Date | 2025-03-21 18:03:54 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00047183 |
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| Frequency | 70.7 |
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| Structure | |
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| Chemical Formula | C9H14O3S |
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| Molecular Mass | 202.0664 |
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| SMILES | CSC=C(C)CC1(O)CCC(=O)O1 |
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| InChI Key | WNUKAJFOIVXJEB-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | lactones |
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| Subclass | gamma butyrolactones |
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| Direct Parent | gamma butyrolactones |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acid estershemiacetalshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundssulfenyl compoundstetrahydrofuransthioenol ethers |
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| Substituents | carbonyl groupsulfenyl compoundtetrahydrofuranorganosulfur compoundcarboxylic acid derivativegamma butyrolactoneoxacycleorganic oxidemonocarboxylic acid or derivativesthioenoletherorganic oxygen compoundcarboxylic acid esteraliphatic heteromonocyclic compoundhemiacetalhydrocarbon derivativeorganooxygen compound |
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