Record Information |
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HMDB Status | Not Available |
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Creation Date | 2024-02-21 00:18:13 UTC |
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Update Date | 2025-03-21 18:35:30 UTC |
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HMDB ID | Not Available |
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Metabolite Identification |
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DeepMet ID | DMID00105967 |
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Frequency | 25.5 |
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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 | CC1NCCc2cc(OS(=O)(=O)O)ccc21 |
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InChI Key | FETMTEKXLVMOBW-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 | arylsulfatesazacyclic compoundsbenzenoidsdialkylamineshydrocarbon derivativesorganic oxidesorganooxygen compoundsorganopnictogen compoundssulfuric acid monoesters |
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Substituents | secondary aliphatic aminesulfuric acid monoesterorganic sulfuric acid or derivativesazacyclesecondary amineorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundorganonitrogen compoundtetrahydroisoquinolineorganopnictogen compoundsulfate-esterhydrocarbon derivativearylsulfatebenzenoidorganic nitrogen compoundsulfuric acid esterorganooxygen compoundamine |
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