| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:00:58 UTC |
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| Update Date | 2025-03-21 18:06:39 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00064428 |
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| Frequency | 47.7 |
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| Structure | |
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| Chemical Formula | C12H20NO4S+ |
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| Molecular Mass | 274.1108 |
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| SMILES | CC(Cc1ccc(OS(=O)(=O)O)cc1)[N+](C)(C)C |
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| InChI Key | PHBAVTSXXXJMDB-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 | aminesamphetamines and derivativeshydrocarbon derivativesorganic cationsorganic oxidesorganic saltsorganooxygen compoundsorganopnictogen compoundsphenoxy compoundsphenylpropanessulfuric acid monoesterstetraalkylammonium salts |
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| Substituents | monocyclic benzene moietysulfuric acid monoesterphenylpropanephenylsulfateorganic oxideorganonitrogen compoundorganopnictogen compoundorganic cationorganic saltamphetamine or derivativestetraalkylammonium saltquaternary ammonium saltaromatic homomonocyclic compoundorganic oxygen compoundsulfate-esterhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundsulfuric acid esteramineorganooxygen compound |
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