| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:07:28 UTC |
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| Update Date | 2025-03-25 00:56:28 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02218589 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C5H6N2O6S |
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| Molecular Mass | 221.9947 |
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| SMILES | Cn1cnc(C(=O)O)c1OS(=O)(=O)O |
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| InChI Key | BTWRWGGKEIHGJQ-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 | arylsulfates |
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| Direct Parent | arylsulfates |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundscarbonyl compoundscarbonylimidazolescarboxylic acidsheteroaromatic compoundshydrocarbon derivativesimidazolesmonocarboxylic acids and derivativesn-substituted imidazolesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssulfuric acid monoestersvinylogous amides |
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| Substituents | carbonyl groupsulfuric acid monoestercarboxylic acidaromatic heteromonocyclic compoundcarboxylic acid derivativeorganic oxideimidazoleorganonitrogen compoundorganopnictogen compoundarylsulfateimidazole-4-carbonyl grouporganoheterocyclic compoundazolen-substituted imidazolevinylogous amideazacycleheteroaromatic compoundmonocarboxylic acid or derivativesorganic oxygen compoundsulfate-esterhydrocarbon derivativeorganic nitrogen compoundsulfuric acid esterorganooxygen compound |
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