| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:20:12 UTC |
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| Update Date | 2025-03-21 18:36:29 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00110849 |
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| Frequency | 24.0 |
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| Structure | |
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| Chemical Formula | C10H13NO6S |
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| Molecular Mass | 275.0464 |
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| SMILES | COC(=O)C(N)Cc1ccc(OS(=O)(=O)O)cc1 |
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| InChI Key | VBDFIILFQPTRLI-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 acid estersalpha amino acidsamphetamines and derivativescarbonyl compoundsfatty acid estershydrocarbon derivativesmethyl estersmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenoxy compoundsphenylsulfatessulfuric acid monoesters |
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| Substituents | fatty acylmonocyclic benzene moietysulfuric acid monoestercarbonyl groupphenylsulfateorganic oxidemethyl esterorganonitrogen compoundalpha-amino acidorganopnictogen compoundarylsulfateamphetamine or derivativesorganic sulfuric acid or derivativesalpha-amino acid esteraromatic homomonocyclic compoundfatty acid estermonocarboxylic acid or derivativesphenylalanine or derivativesorganic oxygen compoundcarboxylic acid estersulfate-esterhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundphenoxy compoundsulfuric acid esterorganooxygen compound |
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