| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:39:36 UTC |
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| Update Date | 2025-03-25 00:46:23 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02154916 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H18N4O8S |
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| Molecular Mass | 426.0845 |
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| SMILES | Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(CC(OS(=O)(=O)O)C(O)CO)c2cc1C |
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| InChI Key | CTIFKCSMHZRYDE-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 | pteridines and derivatives |
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| Subclass | alloxazines and isoalloxazines |
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| Direct Parent | flavins |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1,2-diolsalkyl sulfatesazacyclic compoundsbenzenoidsdiazanaphthalenesheteroaromatic compoundshydrocarbon derivativeslactamsorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsprimary alcoholspyrazinespyrimidonesquinoxalinessecondary alcoholssulfuric acid monoesters |
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| Substituents | sulfuric acid monoesterlactampyrimidoneflavinpyrimidineorganic oxidediazanaphthalenearomatic heteropolycyclic compoundalkyl sulfateorganonitrogen compoundorganopnictogen compoundprimary alcohol1,2-diolalcoholquinoxalinecarbonic acid derivativeorganic sulfuric acid or derivativesazacycleheteroaromatic compoundorganic oxygen compoundpyrazinesecondary alcoholsulfate-esterhydrocarbon derivativebenzenoidorganic nitrogen compoundsulfuric acid esterorganooxygen compound |
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