| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:14:02 UTC |
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| Update Date | 2025-03-21 18:33:24 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00095685 |
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| Frequency | 28.9 |
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| Structure | |
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| Chemical Formula | C7H12O2S |
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| Molecular Mass | 160.0558 |
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| SMILES | C=CCSCC(=O)OCC |
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| InChI Key | GTKVSYWEZRZLPE-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | carboxylic acid derivatives |
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| Direct Parent | carboxylic acid esters |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | allyl sulfur compoundscarbonyl compoundsdialkylthioethershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidessulfenyl compounds |
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| Substituents | aliphatic acyclic compoundcarbonyl groupsulfenyl compounddialkylthioetherallyl sulfur compoundorganosulfur compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundthioethercarboxylic acid esterhydrocarbon derivativeorganooxygen compound |
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