| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:00:17 UTC |
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| Update Date | 2025-03-25 00:53:46 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02201890 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H21N4O16P3 |
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| Molecular Mass | 630.0165 |
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| SMILES | Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(CC(O)C(O)C(O)C(=O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O)c2cc1C |
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| InChI Key | BMADXWBTVJMMLD-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 | acyl phosphatesazacyclic compoundsbenzenoidsbeta hydroxy acids and derivativescarbonyl compoundsdiazanaphthalenesflavinsheteroaromatic compoundshydrocarbon derivativeslactamsmonocarboxylic acids and derivativesmonosaccharidesorganic carbonic acids and derivativesorganic oxidesorganic phosphoric acids and derivativesorganonitrogen compoundsorganopnictogen compoundspyrazinespyrimidonesquinoxalinessecondary alcohols |
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| Substituents | carbonyl grouplactammonosaccharidepyrimidonepteridinecarboxylic acid derivativeisoalloxazineflavinpyrimidinebeta-hydroxy acidsaccharideorganic oxidediazanaphthalenearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundalcoholquinoxalinecarbonic acid derivativeazacycleflavin nucleotideheteroaromatic compoundhydroxy acidmonocarboxylic acid or derivativesorganic oxygen compoundpyrazinesecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundorganic phosphoric acid derivativeorganooxygen compoundacyl phosphate |
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