| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:13:27 UTC |
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| Update Date | 2025-03-21 18:33:07 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00094301 |
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| Frequency | 40.9 |
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| Structure | |
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| Chemical Formula | C8H12N2O6S |
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| Molecular Mass | 264.0416 |
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| SMILES | O=C(CCC(O)Cc1c[nH]cn1)OS(=O)(=O)O |
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| InChI Key | SNRAQFMHUMDRLK-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 | organic sulfuric acids and derivatives |
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| Subclass | sulfuric acid esters |
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| Direct Parent | sulfuric acid monoesters |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundscarbonyl compoundsheteroaromatic compoundshydrocarbon derivativesimidazolesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary alcohols |
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| Substituents | alcoholsulfuric acid monoestercarbonyl grouparomatic heteromonocyclic compoundazacycleheteroaromatic compoundcarboxylic acid derivativeorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundimidazoleorganonitrogen compoundsecondary alcoholorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganoheterocyclic compoundorganooxygen compoundazole |
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