| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:17:20 UTC |
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| Update Date | 2025-03-21 18:35:05 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00103824 |
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| Frequency | 26.1 |
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| Structure | |
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| Chemical Formula | C10H13NO3S |
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| Molecular Mass | 227.0616 |
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| SMILES | CN1CCc2c(cc(O)cc2S(=O)O)C1 |
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| InChI Key | OUZBWMRVUKGPQQ-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 benzenoidsaralkylaminesazacyclic compoundsbenzenoidshydrocarbon derivativesorganic oxidesorganooxygen compoundsorganopnictogen compoundsorganosulfur compoundssulfinic acidstrialkylamines |
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| Substituents | azacyclesulfinic acid derivativetertiary aliphatic amine1-hydroxy-2-unsubstituted benzenoidorganosulfur compoundaralkylaminesulfinic acidorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundorganonitrogen compoundtetrahydroisoquinolineorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundaminetertiary amineorganooxygen compound |
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