| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:59:24 UTC |
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| Update Date | 2025-03-25 00:53:28 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02199902 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H8N2O5S |
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| Molecular Mass | 244.0154 |
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| SMILES | Cn1cnc2cc(OS(=O)(=O)O)c(O)cc21 |
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| InChI Key | BHYSOWWUEWRDCM-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 | 1-hydroxy-2-unsubstituted benzenoidsazacyclic compoundsbenzenoidsbenzimidazolesheteroaromatic compoundshydrocarbon derivativesimidazolesn-substituted imidazolesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundssulfuric acid monoesters |
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| Substituents | sulfuric acid monoesterazacycleheteroaromatic compound1-hydroxy-2-unsubstituted benzenoidorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundbenzimidazoleimidazoleorganonitrogen compoundorganopnictogen compoundsulfate-esterhydrocarbon derivativearylsulfatebenzenoidorganic nitrogen compoundsulfuric acid esterorganoheterocyclic compoundorganooxygen compoundazolen-substituted imidazole |
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