| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:52:33 UTC |
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| Update Date | 2025-03-25 00:51:01 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02184276 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H15NO8S |
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| Molecular Mass | 321.0518 |
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| SMILES | NC(CC(=O)O)Cc1ccc(O)c(OCOS(=O)(=O)O)c1 |
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| InChI Key | FEAQXIRUMXETGA-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 | carboxylic acids and derivatives |
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| Subclass | amino acids, peptides, and analogues |
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| Direct Parent | beta amino acids and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalkyl sulfatesamphetamines and derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenol ethersphenoxy compoundssulfuric acid monoesters |
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| Substituents | phenol ethermonocyclic benzene moietysulfuric acid monoestercarbonyl groupcarboxylic acid1-hydroxy-2-unsubstituted benzenoidorganic oxidealkyl sulfateorganonitrogen compoundorganopnictogen compoundamphetamine or derivativesorganic sulfuric acid or derivativesbeta amino acid or derivativesaromatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundsulfate-esterphenolhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundphenoxy compoundsulfuric acid esterorganooxygen compound |
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