| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:19:15 UTC |
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| Update Date | 2025-03-21 18:36:01 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00108530 |
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| Frequency | 24.7 |
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| Structure | |
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| Chemical Formula | C11H12N2O6S |
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| Molecular Mass | 300.0416 |
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| SMILES | NC(Cc1c[nH]c2cccc(OS(=O)(=O)O)c12)C(=O)O |
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| InChI Key | LZEDWDVUFLYSCZ-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 | alpha amino acids |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | arylsulfatesazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesindolesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrolessulfuric acid monoesters |
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| Substituents | sulfuric acid monoestercarbonyl groupcarboxylic acidindoleorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundarylsulfateorganoheterocyclic compoundorganic sulfuric acid or derivativesazacycleheteroaromatic compoundindole or derivativesmonocarboxylic acid or derivativesorganic oxygen compoundpyrrolesulfate-esterhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundsulfuric acid esterorganooxygen compound |
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