| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:15:53 UTC |
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| Update Date | 2025-03-21 18:34:19 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00100219 |
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| Frequency | 50.6 |
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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=c1nc[nH]c2c(OS(=O)(=O)O)cccc12 |
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| InChI Key | NGWLMMOMGKNGPN-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 derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspyrimidonessulfuric acid monoestersvinylogous amides |
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| Substituents | vinylogous amidesulfuric acid monoesterorganic sulfuric acid or derivativesazacycleheteroaromatic compoundpyrimidonepyrimidineorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundsulfate-esterhydrocarbon derivativearylsulfatebenzenoidorganic nitrogen compoundquinazolinesulfuric acid esterorganooxygen compound |
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