| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:26:10 UTC |
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| Update Date | 2025-03-21 18:39:19 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00125034 |
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| Frequency | 20.5 |
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| Structure | |
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| Chemical Formula | C11H12O3S |
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| Molecular Mass | 224.0507 |
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| SMILES | O=C(O)C(=O)CCSCc1ccccc1 |
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| InChI Key | LCCOKUFUQPHERK-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 acids and conjugates |
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| Direct Parent | thia fatty acids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alpha-hydroxy ketonesalpha-keto acids and derivativesbenzene and substituted derivativescarboxylic acidsdialkylthioethersfatty acylshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidessulfenyl compounds |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidsulfenyl compounddialkylthioetherorganosulfur compoundalpha-hydroxy ketonecarboxylic acid derivativeketonearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesthia fatty acidorganic oxygen compoundthioetherketo acidalpha-keto acidhydrocarbon derivativebenzenoidorganooxygen compound |
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