| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:35:35 UTC |
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| Update Date | 2025-03-21 17:57:02 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00005211 |
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| Frequency | 1037.1 |
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| Structure | |
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| Chemical Formula | C17H22N4O12P2 |
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| Molecular Mass | 536.0709 |
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| SMILES | Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(CC(O)C(O)C(O)COP(=O)(O)OP(=O)(O)O)c2cc1C |
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| InChI Key | DJICTQVUSNOZCH-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | nucleosides, nucleotides, and analogues |
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| Class | flavin nucleotides |
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| Subclass | flavin nucleotides |
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| Direct Parent | flavin nucleotides |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | azacyclic compoundsbenzenoidsdiazanaphthalenesflavinsheteroaromatic compoundshydrocarbon derivativeslactamsmonoalkyl phosphatesorganic carbonic acids and derivativesorganic oxidesorganic pyrophosphatesorganonitrogen compoundsorganopnictogen compoundspyrazinespyrimidonesquinoxalinessecondary alcohols |
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| Substituents | lactampyrimidonepteridineisoalloxazineflavinpyrimidineorganic oxidediazanaphthalenearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundalcoholquinoxalinecarbonic acid derivativeazacycleflavin nucleotideheteroaromatic compoundorganic pyrophosphateorganic oxygen compoundphosphoric acid estermonoalkyl phosphatepyrazinesecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphateorganooxygen compound |
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