| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:54:01 UTC |
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| Update Date | 2025-03-21 18:04:04 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00048179 |
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| Frequency | 68.9 |
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| Structure | |
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| Chemical Formula | C11H15NO5S |
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| Molecular Mass | 273.0671 |
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| SMILES | CC1c2cc(OS(=O)(=O)O)c(O)cc2CCN1C |
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| InChI Key | XCGITHGLVKUBOL-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 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 benzenoidaralkylamineorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundorganonitrogen compoundtetrahydroisoquinolineorganopnictogen compoundsulfate-esterhydrocarbon derivativearylsulfatebenzenoidorganic nitrogen compoundsulfuric acid esteraminetertiary amineorganooxygen compound |
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