| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:17:59 UTC |
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| Update Date | 2025-03-21 18:35:23 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00105384 |
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| Frequency | 59.0 |
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| Structure | |
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| Chemical Formula | C6H6N4O5S |
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| Molecular Mass | 246.0059 |
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| SMILES | N=c1[nH]c(=O)c2c(OS(=O)(=O)O)c[nH]c2[nH]1 |
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| InChI Key | ZNDJUGSPSNCTQW-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 oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspyrimidonespyrrolespyrrolo[2,3-d]pyrimidinessulfuric acid monoestersvinylogous amides |
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| Substituents | vinylogous amidesulfuric acid monoesterlactamazacycleheteroaromatic compoundpyrimidonepyrimidinepyrrolopyrimidineorganic oxidepyrrolo[2,3-d]pyrimidineorganic oxygen compoundaromatic heteropolycyclic compoundpyrroleorganonitrogen compoundorganopnictogen compoundsulfate-esterhydrocarbon derivativearylsulfateorganic nitrogen compoundsulfuric acid esterorganoheterocyclic compoundorganooxygen compound |
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