| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:13:42 UTC |
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| Update Date | 2025-03-21 18:33:14 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00094858 |
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| Frequency | 29.3 |
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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 | CC1NCCc2cc(OS(=O)(=O)O)c(O)cc21 |
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| InChI Key | DFPNWHGWIXZYTR-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 benzenoidsarylsulfatesazacyclic compoundsbenzenoidsdialkylamineshydrocarbon derivativesorganic oxidesorganooxygen compoundsorganopnictogen compoundssulfuric acid monoesters |
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| Substituents | secondary aliphatic aminesulfuric acid monoesterorganic sulfuric acid or derivativesazacycle1-hydroxy-2-unsubstituted benzenoidsecondary amineorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundorganonitrogen compoundtetrahydroisoquinolineorganopnictogen compoundsulfate-esterhydrocarbon derivativearylsulfatebenzenoidorganic nitrogen compoundsulfuric acid esterorganooxygen compoundamine |
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