| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:44:53 UTC |
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| Update Date | 2025-03-21 18:00:18 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00026388 |
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| Frequency | 177.8 |
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| Structure | |
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| Chemical Formula | C8H6N2O6S |
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| Molecular Mass | 257.9947 |
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| SMILES | O=c1[nH]c(=O)c2cccc(OS(=O)(=O)O)c2[nH]1 |
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| InChI Key | RAPUYXFLZGMRAF-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | diazanaphthalenes |
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| Subclass | benzodiazines |
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| Direct Parent | quinazolines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | arylsulfatesazacyclic compoundsbenzenoidsdiazanaphthalenesheteroaromatic compoundshydrocarbon derivativeslactamsorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspyrimidonessulfuric acid monoestersvinylogous amides |
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| Substituents | sulfuric acid monoesterlactampyrimidonepyrimidineorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundarylsulfatevinylogous amidecarbonic acid derivativeorganic sulfuric acid or derivativesazacycleheteroaromatic compoundorganic oxygen compoundsulfate-esterhydrocarbon derivativebenzenoidorganic nitrogen compoundquinazolinesulfuric acid esterorganooxygen compound |
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