| Record Information | 
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| HMDB Status | Not Available | 
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| Creation Date | 2024-02-20 23:41:13 UTC | 
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| Update Date | 2025-03-21 17:58:59 UTC | 
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| HMDB ID | Not Available | 
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| Metabolite Identification | 
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| DeepMet ID | DMID00018018 | 
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| Frequency | 231.3 | 
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| Structure |  | 
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| Chemical Formula | C3H6O2S | 
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| Molecular Mass | 106.0088 | 
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| SMILES | C=CC[SH](=O)=O | 
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| InChI Key | LQOAFEDZAGPEDU-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 | allyl sulfur compounds | 
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| Subclass  | allyl sulfur compounds | 
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| Direct Parent  | allyl sulfur compounds | 
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| Geometric Descriptor  | aliphatic acyclic compounds | 
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| Alternative Parents  | alkylthiolshydrocarbon derivativesorganic oxidess-alkylsulfenates | 
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| Substituents  | aliphatic acyclic compounds-alkylsulfenateorganic oxideorganic oxygen compoundallyl sulfur compoundhydrocarbon derivativealkylthiol | 
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