| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:53:34 UTC |
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| Update Date | 2025-03-21 18:03:52 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00047114 |
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| Frequency | 70.8 |
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| Structure | |
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| Chemical Formula | C10H13NO5S |
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| Molecular Mass | 259.0514 |
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| SMILES | CN1CCc2c(O)cc(OS(=O)(=O)O)cc2C1 |
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| InChI Key | LLTJIAHOTHIOSP-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 benzenoids1-hydroxy-4-unsubstituted benzenoidsaralkylaminesarylsulfatesazacyclic compoundsbenzenoidshydrocarbon derivativesorganic oxidesorganooxygen compoundsorganopnictogen compoundssulfuric acid monoesterstrialkylamines |
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| Substituents | sulfuric acid monoesterorganic sulfuric acid or derivativesazacycletertiary aliphatic amine1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidaralkylamineorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundorganonitrogen compoundtetrahydroisoquinolineorganopnictogen compoundsulfate-esterhydrocarbon derivativearylsulfatebenzenoidorganic nitrogen compoundsulfuric acid esteraminetertiary amineorganooxygen compound |
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