| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:28:07 UTC |
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| Update Date | 2025-03-21 18:40:21 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00129729 |
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| Frequency | 19.6 |
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| Structure | |
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| Chemical Formula | C10H10O6S |
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| Molecular Mass | 258.0198 |
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| SMILES | O=C(O)CCS(=O)(=O)c1ccc(C(=O)O)cc1 |
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| InChI Key | GWRYDNBSPKPPRG-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 | benzoic acids and derivatives |
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| Direct Parent | benzoic acids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | benzenesulfonyl compoundsbenzoyl derivativescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidessulfones |
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| Substituents | carbonyl groupcarboxylic acidbenzoylorganosulfur compoundcarboxylic acid derivativearomatic homomonocyclic compoundorganic oxidesulfonylorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivativebenzoic acidorganooxygen compoundsulfonebenzenesulfonyl group |
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