| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:41:59 UTC |
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| Update Date | 2025-03-21 18:48:47 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00162036 |
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| Frequency | 34.8 |
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| Structure | |
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| Chemical Formula | C8H6N2O5S |
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| Molecular Mass | 241.9997 |
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| SMILES | O=S(=O)(O)Oc1nc(O)c2ccccc2n1 |
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| InChI Key | JLGVYEDWHNFGQH-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 derivativeshydroxypyrimidinesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundssulfuric acid monoesters |
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| Substituents | sulfuric acid monoesterorganic sulfuric acid or derivativesazacycleheteroaromatic compoundhydroxypyrimidinepyrimidineorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundsulfate-esterhydrocarbon derivativearylsulfatebenzenoidorganic nitrogen compoundquinazolinesulfuric acid esterorganooxygen compound |
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