| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:15:03 UTC |
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| Update Date | 2025-03-21 18:33:54 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00098214 |
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| Frequency | 28.0 |
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| Structure | |
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| Chemical Formula | C10H11NO8S |
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| Molecular Mass | 305.0205 |
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| SMILES | O=C(O)CC(Nc1ccccc1OS(=O)(=O)O)C(=O)O |
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| InChI Key | PYWOEKLPBFBJQX-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 | aspartic acid and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alpha amino acidsamino acidscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesorganopnictogen compoundsphenoxy compoundsphenylalkylaminesphenylsulfatessecondary alkylarylaminessulfuric acid monoesters |
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| Substituents | monocyclic benzene moietysulfuric acid monoestercarbonyl groupcarboxylic acidamino acidphenylsulfateorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundarylsulfateorganic sulfuric acid or derivativessecondary aminesecondary aliphatic/aromatic aminearomatic homomonocyclic compoundorganic oxygen compoundaspartic acid or derivativesdicarboxylic acid or derivativesphenylalkylaminesulfate-esterhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundsulfuric acid esteramineorganooxygen compound |
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