| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:59:22 UTC |
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| Update Date | 2025-03-25 00:53:27 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02199803 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C6H7N3O5S |
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| Molecular Mass | 233.0106 |
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| SMILES | Cn1c(=O)[nH]c2[nH]cc(OS(=O)(=O)O)c21 |
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| InChI Key | VWKGMCROBOQVLI-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 derivativesimidazolesn-substituted imidazolesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspyrrolessulfuric acid monoesters |
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| Substituents | sulfuric acid monoestercarbonic acid derivativeazacycleheteroaromatic compoundorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundimidazolepyrroleorganonitrogen compoundorganopnictogen compoundsulfate-esterhydrocarbon derivativearylsulfateorganic nitrogen compoundsulfuric acid esterorganoheterocyclic compoundorganooxygen compoundazolen-substituted imidazole |
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