| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:15:36 UTC |
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| Update Date | 2025-03-25 00:59:25 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02236927 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H18O6S |
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| Molecular Mass | 350.0824 |
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| SMILES | O=C(CCC(O)Cc1cccc(O)c1)OS(=O)(=O)c1ccccc1 |
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| InChI Key | VMJBOXYGCHDHHJ-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-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsarylsulfonic acids and derivativesbenzenesulfonyl compoundscarbonyl compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidessecondary alcoholssulfonyls |
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| Substituents | alcoholorganosulfonic acid or derivativesbenzenesulfonate estercarbonyl group1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidorganosulfur compoundcarboxylic acid derivativearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativessulfonylorganic oxygen compoundarylsulfonic acid or derivativesorganic sulfonic acid or derivativessecondary alcoholphenolhydrocarbon derivativeorganooxygen compoundbenzenesulfonyl group |
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