| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:37:00 UTC |
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| Update Date | 2025-03-21 17:57:32 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00008456 |
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| Frequency | 579.6 |
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| Structure | |
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| Chemical Formula | C5H8O2S |
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| Molecular Mass | 132.0245 |
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| SMILES | C=CCSCC(=O)O |
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| InChI Key | BLSMRHBHPHGMSV-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 | carbonyl compoundscarboxylic acidsdialkylthioethershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidessulfenyl compounds |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidsulfenyl compounddialkylthioetherallyl sulfur compoundcarboxylic acid derivativeorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundthioetherhydrocarbon derivativeorganooxygen compound |
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