| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:50:28 UTC |
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| Update Date | 2025-03-21 18:02:41 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00039612 |
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| Frequency | 93.3 |
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| Structure | |
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| Chemical Formula | C11H11NO8S |
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| Molecular Mass | 317.0205 |
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| SMILES | O=C(O)CNC(=O)C=Cc1ccc(O)c(OS(=O)(=O)O)c1 |
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| InChI Key | HZZZSLIXVIGIRO-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 | acyl glycines |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalpha amino acidscarbonyl compoundscarboxylic acidshydrocarbon derivativeshydroxycinnamic acidsmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenoxy compoundsphenylsulfatessecondary carboxylic acid amidessulfuric acid monoesters |
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| Substituents | monocyclic benzene moietycarbonyl groupsulfuric acid monoestercarboxylic acid1-hydroxy-2-unsubstituted benzenoidhydroxycinnamic acid or derivativesphenylsulfatecinnamic acid or derivativesorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundarylsulfateorganic sulfuric acid or derivativescarboxamide groupn-acylglycinehydroxycinnamic acidaromatic homomonocyclic compoundsecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundsulfate-esterphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundsulfuric acid esterorganooxygen compound |
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