| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:40:38 UTC |
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| Update Date | 2025-03-25 00:46:46 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02157196 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C6H8O3S2 |
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| Molecular Mass | 191.9915 |
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| SMILES | O=C1CSCCC(C(=O)O)S1 |
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| InChI Key | MSNHFVIYYZVWRY-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 | carbothioic s-lactones |
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| Subclass | carbothioic s-lactones |
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| Direct Parent | carbothioic s-lactones |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acidsdialkylthioethershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesthioestersthiolactones |
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| Substituents | carbothioic s-lactonethiocarboxylic acid or derivativescarbonyl groupcarboxylic acidthiocarboxylic acid esterdialkylthioethercarboxylic acid derivativeorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundthioetheraliphatic heteromonocyclic compoundhydrocarbon derivativethiolactoneorganoheterocyclic compoundorganooxygen compound |
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