| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:21:08 UTC |
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| Update Date | 2025-03-25 01:01:30 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02249704 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H12O5S |
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| Molecular Mass | 244.0405 |
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| SMILES | Cc1ccc(S(=O)(=O)CC(O)C(=O)O)cc1 |
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| InChI Key | MITDNAUQWYSXCR-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 | toluenes |
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| Direct Parent | tosyl compounds |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alpha hydroxy acids and derivativesbenzenesulfonyl compoundscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidessecondary alcoholssulfones |
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| Substituents | alcoholcarbonyl groupcarboxylic acidtosyl compoundalpha-hydroxy acidhydroxy acidorganosulfur compoundcarboxylic acid derivativearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativessulfonylorganic oxygen compoundsecondary alcoholhydrocarbon derivativeorganooxygen compoundsulfonebenzenesulfonyl group |
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