| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:10:50 UTC |
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| Update Date | 2025-03-21 18:31:51 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00088001 |
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| Frequency | 32.2 |
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| Structure | |
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| Chemical Formula | C11H18NO4S+ |
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| Molecular Mass | 260.0951 |
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| SMILES | C[N+](C)(C)CCc1ccc(OS(=O)(=O)O)cc1 |
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| InChI Key | XDQPRAUFGIZVSU-UHFFFAOYSA-O |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | organic sulfuric acids and derivatives |
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| Subclass | arylsulfates |
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| Direct Parent | phenylsulfates |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | amineshydrocarbon derivativesorganic cationsorganic oxidesorganic saltsorganooxygen compoundsorganopnictogen compoundsphenethylaminesphenoxy compoundssulfuric acid monoesterstetraalkylammonium salts |
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| Substituents | monocyclic benzene moietysulfuric acid monoestertetraalkylammonium saltquaternary ammonium saltphenethylaminearomatic homomonocyclic compoundphenylsulfateorganic oxideorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundsulfate-esterhydrocarbon derivativebenzenoidorganic nitrogen compoundorganic cationphenoxy compoundorganic saltsulfuric acid esteramineorganooxygen compound |
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