| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:07:54 UTC |
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| Update Date | 2025-03-25 00:56:37 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02219618 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H8N2O7S |
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| Molecular Mass | 288.0052 |
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| SMILES | COc1cc(OS(=O)(=O)O)c2[nH]c(=O)[nH]c(=O)c2c1 |
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| InChI Key | KJGQXHZGJRNHDQ-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 | alkyl aryl ethersanisolesarylsulfatesazacyclic compoundsdiazanaphthalenesheteroaromatic compoundshydrocarbon derivativeslactamsorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrimidonessulfuric acid monoestersvinylogous amides |
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| Substituents | phenol ethersulfuric acid monoesteretherlactampyrimidonealkyl aryl etherpyrimidineorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundarylsulfatevinylogous amidecarbonic acid derivativeorganic sulfuric acid or derivativesazacycleheteroaromatic compoundorganic oxygen compoundanisolesulfate-esterhydrocarbon derivativebenzenoidorganic nitrogen compoundquinazolinesulfuric acid esterorganooxygen compound |
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