| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:39:58 UTC |
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| Update Date | 2025-03-25 00:46:32 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02155773 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H16NO6S+ |
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| Molecular Mass | 290.0693 |
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| SMILES | C[N+](C)(C)C(C(=O)O)c1cccc(OS(=O)(=O)O)c1 |
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| InChI Key | XJHQENGZHVMNBL-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 | alpha amino acidsaralkylaminescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic cationsorganic oxidesorganic saltsorganopnictogen compoundsphenoxy compoundssulfuric acid monoesterstetraalkylammonium salts |
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| Substituents | monocyclic benzene moietysulfuric acid monoestercarbonyl groupcarboxylic acidalpha-amino acid or derivativescarboxylic acid derivativearalkylaminephenylsulfateorganic oxidealpha-amino acidorganonitrogen compoundorganopnictogen compoundorganic cationorganic salttetraalkylammonium saltquaternary ammonium saltaromatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundsulfate-esterhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundsulfuric acid esteramineorganooxygen compound |
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