| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:14:46 UTC |
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| Update Date | 2025-03-25 00:59:06 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02235067 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C20H27N5O12P+ |
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| Molecular Mass | 560.1388 |
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| SMILES | Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(CC(O)C(O)C(O)C(O)COP(=O)(O)OCC[N+](=O)O)c2cc1C |
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| InChI Key | KNARRPRKIVNXGR-UHFFFAOYSA-O |
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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 | azacyclic compoundsbenzenoidsc-nitro compoundsdialkyl phosphatesdiazanaphthalenesheteroaromatic compoundshydrocarbon derivativeslactamsmonosaccharidesorganic carbonic acids and derivativesorganic oxidesorganic oxoanionic compoundsorganic oxoazanium compoundsorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundspyrazinespyrimidonesquinoxalinessecondary alcohols |
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| Substituents | lactamallyl-type 1,3-dipolar organic compoundmonosaccharidepyrimidoneflavinorganic nitro compoundpyrimidinepropargyl-type 1,3-dipolar organic compoundsaccharideorganic oxidediazanaphthalenearomatic heteropolycyclic compoundc-nitro compoundorganonitrogen compoundorganopnictogen compoundorganic oxoazaniumalcoholquinoxalinecarbonic acid derivativeazacycleheteroaromatic compoundorganic 1,3-dipolar compounddialkyl phosphateorganic oxygen compoundphosphoric acid esterpyrazinesecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphateorganooxygen compoundorganic hyponitrite |
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