| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:53:34 UTC |
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| Update Date | 2025-03-21 18:03:53 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00047138 |
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| Frequency | 70.7 |
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| Structure | |
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| Chemical Formula | C10H15NO5S |
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| Molecular Mass | 261.0671 |
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| SMILES | CN(C)CCc1ccc(O)c(OS(=O)(=O)O)c1 |
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| InChI Key | JRYYFLNIQCRAQX-UHFFFAOYSA-N |
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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 | 1-hydroxy-2-unsubstituted benzenoidshydrocarbon derivativesorganic oxidesorganooxygen compoundsorganopnictogen compoundsphenethylaminesphenoxy compoundssulfuric acid monoesterstrialkylamines |
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| Substituents | monocyclic benzene moietysulfuric acid monoestertertiary aliphatic amine1-hydroxy-2-unsubstituted benzenoidphenethylaminearomatic homomonocyclic compoundphenylsulfateorganic oxideorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundsulfate-esterphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundsulfuric acid esteraminetertiary amineorganooxygen compound |
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