| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:18:33 UTC |
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| Update Date | 2025-03-21 18:35:41 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00106813 |
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| Frequency | 25.2 |
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| Structure | |
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| Chemical Formula | C14H16N4O9P2 |
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| Molecular Mass | 446.0393 |
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| SMILES | Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(CCOP(=O)(O)OP(=O)(O)O)c2cc1C |
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| InChI Key | NLQJFFXZIWAPLI-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 | azacyclic compoundsbenzenoidsdiazanaphthalenesheteroaromatic compoundshydrocarbon derivativeslactamsmonoalkyl phosphatesorganic carbonic acids and derivativesorganic oxidesorganic pyrophosphatesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspyrazinespyrimidonesquinoxalines |
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| Substituents | lactampyrimidoneflavinpyrimidineorganic oxidediazanaphthalenearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundquinoxalinecarbonic acid derivativeazacycleheteroaromatic compoundorganic pyrophosphateorganic oxygen compoundphosphoric acid estermonoalkyl phosphatepyrazinehydrocarbon derivativebenzenoidorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphateorganooxygen compound |
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