| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:55:16 UTC |
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| Update Date | 2025-03-21 18:04:31 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00051078 |
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| Frequency | 64.0 |
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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(C)C(=O)O |
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| InChI Key | YZMRKIRIBGXHGG-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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