| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:12:48 UTC |
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| Update Date | 2025-03-25 00:58:24 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02230549 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H14N2O3S |
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| Molecular Mass | 242.0725 |
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| SMILES | CN1CCc2c(cc(O)cc2S(N)(=O)=O)C1 |
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| InChI Key | HURYUGBWCCFBEI-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | tetrahydroisoquinolines |
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| Subclass | tetrahydroisoquinolines |
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| Direct Parent | tetrahydroisoquinolines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsaminosulfonyl compoundsaralkylaminesazacyclic compoundsbenzenoidshydrocarbon derivativesorganic oxidesorganooxygen compoundsorganopnictogen compoundsorganosulfonamidestrialkylamines |
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| Substituents | organosulfonic acid or derivativesazacycleaminosulfonyl compoundtertiary aliphatic amine1-hydroxy-2-unsubstituted benzenoidorganosulfur compoundaralkylamineorganosulfonic acid amideorganic oxidesulfonylorganic oxygen compoundaromatic heteropolycyclic compoundorganic sulfonic acid or derivativesorganonitrogen compoundtetrahydroisoquinolineorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundaminetertiary amineorganooxygen compound |
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