| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:53:59 UTC |
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| Update Date | 2025-03-21 18:04:03 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00048132 |
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| Frequency | 68.9 |
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| Structure | |
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| Chemical Formula | C10H13NO4S |
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| Molecular Mass | 243.0565 |
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| SMILES | CN1CCc2cc(OS(=O)(=O)O)ccc2C1 |
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| InChI Key | QJVRPCLRVDTGSF-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 | aralkylaminesarylsulfatesazacyclic compoundsbenzenoidshydrocarbon derivativesorganic oxidesorganooxygen compoundsorganopnictogen compoundssulfuric acid monoesterstrialkylamines |
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| Substituents | sulfuric acid monoesterorganic sulfuric acid or derivativesazacycletertiary aliphatic aminearalkylamineorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundorganonitrogen compoundtetrahydroisoquinolineorganopnictogen compoundsulfate-esterhydrocarbon derivativearylsulfatebenzenoidorganic nitrogen compoundsulfuric acid esteraminetertiary amineorganooxygen compound |
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