| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:05:58 UTC |
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| Update Date | 2025-03-21 18:29:15 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00076474 |
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| Frequency | 38.5 |
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| Structure | |
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| Chemical Formula | C9H11NO5S |
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| Molecular Mass | 245.0358 |
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| SMILES | NC(Cc1ccccc1)C(=O)OS(=O)(=O)O |
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| InChI Key | AZPCYAUWZKSJGN-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 | phenylalanine and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alpha amino acidsamphetamines and derivativesbenzene and substituted derivativescarbonyl compoundshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssulfuric acid monoesters |
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| Substituents | monocyclic benzene moietysulfuric acid monoestercarbonyl grouporganic sulfuric acid or derivativesaromatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesphenylalanine or derivativesorganic oxygen compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundsulfuric acid esterorganooxygen compoundamphetamine or derivatives |
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