| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:35:45 UTC |
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| Update Date | 2025-03-21 17:57:05 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00005584 |
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| Frequency | 1674.7 |
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| Structure | |
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| Chemical Formula | C7H6N2O4S |
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| Molecular Mass | 214.0048 |
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| SMILES | O=S(=O)(O)Oc1cccc2nc[nH]c12 |
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| InChI Key | OKMHRCLAFNORAO-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 compoundsbenzenoidsbenzimidazolesheteroaromatic compoundshydrocarbon derivativesimidazolesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundssulfuric acid monoesters |
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| Substituents | sulfuric acid monoesterazacycleheteroaromatic compoundorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundbenzimidazoleimidazoleorganonitrogen compoundorganopnictogen compoundsulfate-esterhydrocarbon derivativearylsulfatebenzenoidorganic nitrogen compoundsulfuric acid esterorganoheterocyclic compoundorganooxygen compoundazole |
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