| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:00:14 UTC |
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| Update Date | 2025-03-25 00:53:45 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02201792 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H19NO7S |
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| Molecular Mass | 333.0882 |
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| SMILES | Cc1ccc(S(=O)(=O)NC2C(O)OC(CO)C(O)C2O)cc1 |
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| InChI Key | GRKSMVDHRWRMEB-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 | p-toluenesulfonamides |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | aminosulfonyl compoundsbenzenesulfonamidesbenzenesulfonyl compoundshemiacetalshydrocarbon derivativesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsorganosulfonamidesoxacyclic compoundsoxanesprimary alcoholssecondary alcohols |
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| Substituents | organosulfonic acid or derivativesaromatic heteromonocyclic compoundmonosaccharideorganosulfur compoundorganosulfonic acid amidesaccharideorganic oxideorganonitrogen compoundorganopnictogen compoundhemiacetaloxaneprimary alcoholorganoheterocyclic compoundbenzenesulfonyl groupalcoholbenzenesulfonamideaminosulfonyl compoundp-toluenesulfonamideoxacyclesulfonylorganic oxygen compoundorganic sulfonic acid or derivativessecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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