| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:51:21 UTC |
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| Update Date | 2025-03-25 00:50:32 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02181589 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H12O4S |
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| Molecular Mass | 228.0456 |
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| SMILES | O=C(O)CCS(=O)C(O)c1ccccc1 |
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| InChI Key | IUKNINMCUMUCNE-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | benzene and substituted derivatives |
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| Subclass | benzyl sulfoxides |
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| Direct Parent | benzyl alkyl sulfoxides |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | aromatic alcoholscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidessulfinyl compoundssulfoxides |
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| Substituents | aromatic alcoholcarbonyl groupcarboxylic acidorganosulfur compoundcarboxylic acid derivativearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundsulfinyl compoundsulfoxidehydrocarbon derivativebenzyl alkyl sulfoxideorganooxygen compound |
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