| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:00:36 UTC |
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| Update Date | 2025-03-25 00:53:53 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02202614 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H10O6S |
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| Molecular Mass | 294.0198 |
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| SMILES | O=C(O)c1ccccc1OS(=O)(=O)c1ccc(O)cc1 |
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| InChI Key | BOQGXEINALUPIJ-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 | benzenesulfonic acids and derivatives |
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| Direct Parent | benzenesulfonate esters |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compounds1-hydroxy-2-unsubstituted benzenoidsarylsulfonic acids and derivativesbenzenesulfonyl compoundsbenzoic acidsbenzoyl derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganooxygen compoundsorganosulfonic acid estersphenoxy compoundssulfonyls |
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| Substituents | organosulfonic acid or derivativesbenzenesulfonate estercarboxylic acidbenzoyl1-hydroxy-2-unsubstituted benzenoidorganosulfur compoundcarboxylic acid derivativeorganic oxide1-carboxy-2-haloaromatic compoundbenzoic acidbenzenesulfonyl groupbenzoic acid or derivativesorganosulfonic acid esteraromatic homomonocyclic compoundmonocarboxylic acid or derivativessulfonylorganic oxygen compoundarylsulfonic acid or derivativesorganic sulfonic acid or derivativesphenolhydrocarbon derivativephenoxy compoundorganooxygen compound |
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