| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:14:20 UTC |
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| Update Date | 2025-03-21 18:33:33 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00096400 |
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| Frequency | 28.7 |
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| Structure | |
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| Chemical Formula | C7H7N3O6S |
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| Molecular Mass | 261.0056 |
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| SMILES | Cn1c(=O)[nH]c(=O)c2c(OS(=O)(=O)O)c[nH]c21 |
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| InChI Key | GYPZDNNOKGFQHA-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 heteropolycyclic compounds |
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| Alternative Parents | azacyclic compoundsheteroaromatic compoundshydrocarbon derivativeslactamsorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspyrimidonespyrrolespyrrolo[2,3-d]pyrimidinessulfuric acid monoestersvinylogous amides |
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| Substituents | sulfuric acid monoesterlactampyrimidonepyrimidinepyrrolopyrimidineorganic oxidepyrrolo[2,3-d]pyrimidinearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundarylsulfateorganoheterocyclic compoundvinylogous amidecarbonic acid derivativeazacycleheteroaromatic compoundorganic oxygen compoundpyrrolesulfate-esterhydrocarbon derivativeorganic nitrogen compoundsulfuric acid esterorganooxygen compound |
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