| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:02:10 UTC |
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| Update Date | 2025-03-25 00:54:25 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02206189 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H12N2O6S |
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| Molecular Mass | 276.0416 |
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| SMILES | NC(CCc1ccncc1OS(=O)(=O)O)C(=O)O |
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| InChI Key | LUKILNQNTQEWAI-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 heteromonocyclic compounds |
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| Alternative Parents | arylsulfatesazacyclic compoundscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspolyhalopyridinessulfuric acid monoesters |
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| Substituents | sulfuric acid monoestercarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundpolyhalopyridineorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundarylsulfateorganoheterocyclic compoundorganic sulfuric acid or derivativesazacycleheteroaromatic compoundhydroxypyridinemonocarboxylic acid or derivativespyridineorganic oxygen compoundsulfate-esterhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundsulfuric acid esterorganooxygen compound |
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