| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:56:49 UTC |
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| Update Date | 2025-03-25 00:52:28 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02193924 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H18O9S |
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| Molecular Mass | 362.0672 |
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| SMILES | CCc1ccc(S(=O)(=O)OC2OC(C(=O)O)C(O)C(O)C2O)cc1 |
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| InChI Key | VFVPCYYZZLRWOJ-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | carbohydrates and carbohydrate conjugates |
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| Direct Parent | glucuronic acid derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | arylsulfonic acids and derivativesbenzenesulfonate estersbenzenesulfonyl compoundsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganosulfonic acid estersoxacyclic compoundsoxanespyran carboxylic acidssecondary alcoholssulfonyls |
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| Substituents | organosulfonic acid or derivativesmonocyclic benzene moietybenzenesulfonate estercarbonyl groupcarboxylic acidglucuronic acid or derivativesaromatic heteromonocyclic compoundmonosaccharidebenzenesulfonateorganosulfur compoundcarboxylic acid derivativepyran carboxylic acidbeta-hydroxy acidorganic oxideoxaneorganoheterocyclic compoundbenzenesulfonyl groupalcoholpyran carboxylic acid or derivativeshydroxy acidorganosulfonic acid esteroxacyclemonocarboxylic acid or derivativessulfonylarylsulfonic acid or derivativesorganic sulfonic acid or derivativespyransecondary alcoholhydrocarbon derivativebenzenoid |
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