| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:46:08 UTC |
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| Update Date | 2025-03-25 00:48:41 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02169603 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H14O4S |
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| Molecular Mass | 218.0613 |
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| SMILES | CCSC1CC(O)C=CC1(O)C(=O)O |
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| InChI Key | NTJRFGGWTRWYCA-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 | hydroxy acids and derivatives |
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| Subclass | alpha hydroxy acids and derivatives |
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| Direct Parent | alpha hydroxy acids and derivatives |
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| Geometric Descriptor | aliphatic homomonocyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acidsdialkylthioethershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidessecondary alcoholssulfenyl compoundstertiary alcohols |
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| Substituents | alcoholcarbonyl groupcarboxylic acidsulfenyl compounddialkylthioetheralpha-hydroxy acidorganosulfur compoundcarboxylic acid derivativetertiary alcoholorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundthioethersecondary alcoholaliphatic homomonocyclic compoundhydrocarbon derivativeorganooxygen compound |
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