| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:51:25 UTC |
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| Update Date | 2025-03-25 00:50:34 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02181773 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H15NO7S |
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| Molecular Mass | 329.0569 |
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| SMILES | O=C(O)C1CC(OS(=O)(=O)O)CN1C(=O)Cc1ccccc1 |
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| InChI Key | MYLOLKTUHQZFDX-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 | n-acyl-alpha amino acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alkyl sulfatesalpha amino acidsazacyclic compoundscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesn-acylpyrrolidinesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenylacetamidesproline and derivativespyrrolidine carboxylic acidssulfuric acid monoesterstertiary carboxylic acid amides |
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| Substituents | monocyclic benzene moietysulfuric acid monoestercarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundn-acylpyrrolidineorganic oxidepyrrolidine carboxylic acidalkyl sulfatetertiary carboxylic acid amideorganonitrogen compoundalpha-amino acidorganopnictogen compoundpyrrolidinephenylacetamideorganoheterocyclic compoundproline or derivativesorganic sulfuric acid or derivativesazacyclen-acyl-alpha-amino acidcarboxamide groupmonocarboxylic acid or derivativespyrrolidine carboxylic acid or derivativesorganic oxygen compoundsulfate-esterhydrocarbon derivativebenzenoidorganic nitrogen compoundsulfuric acid esterorganooxygen compound |
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