| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:14:52 UTC |
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| Update Date | 2025-03-25 00:59:08 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02235317 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C6H10O4S |
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| Molecular Mass | 178.03 |
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| SMILES | COC(=O)C(=O)CCS(C)=O |
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| InChI Key | INJRVCRQELWYGS-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | lipids and lipid-like molecules |
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| Class | fatty acyls |
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| Subclass | fatty acid esters |
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| Direct Parent | fatty acid esters |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | alpha-keto acids and derivativeshydrocarbon derivativesketonesmethyl estersmonocarboxylic acids and derivativesorganic oxidessulfinyl compoundssulfoxides |
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| Substituents | aliphatic acyclic compoundcarbonyl grouporganosulfur compoundcarboxylic acid derivativeketonefatty acid esterorganic oxidemonocarboxylic acid or derivativesmethyl esterorganic oxygen compoundsulfinyl compoundketo acidcarboxylic acid estersulfoxidealpha-keto acidhydrocarbon derivativeorganooxygen compound |
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