| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:50:52 UTC |
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| Update Date | 2025-03-25 00:50:22 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02180512 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H20NO5S+ |
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| Molecular Mass | 290.1057 |
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| SMILES | C[N+](C)(C)C(CO)Cc1ccc(OS(=O)(=O)O)cc1 |
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| InChI Key | GLYPNGGJXABCLV-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 | 1,2-aminoalcoholsaminesamphetamines and derivativescholineshydrocarbon derivativesorganic cationsorganic oxidesorganic saltsorganopnictogen compoundsphenoxy compoundsprimary alcoholssulfuric acid monoesterstetraalkylammonium salts |
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| Substituents | monocyclic benzene moietysulfuric acid monoesterphenylsulfateorganic oxideorganonitrogen compoundorganopnictogen compoundorganic cationorganic saltprimary alcoholamphetamine or derivativesalcoholtetraalkylammonium salt1,2-aminoalcoholquaternary ammonium saltaromatic homomonocyclic compoundorganic oxygen compoundcholinesulfate-esterhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundsulfuric acid esteramineorganooxygen compound |
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