| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:52:19 UTC |
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| Update Date | 2025-03-21 18:03:25 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00044130 |
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| Frequency | 76.8 |
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| Structure | |
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| Chemical Formula | C26H33N7O16P2 |
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| Molecular Mass | 761.1459 |
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| SMILES | Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(CC(O)C(O)C(O)COP(=O)(O)OP(=O)(O)OCC3OC(n4ccc(N)nc4=O)C(O)C3O)c2cc1C |
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| InChI Key | SIISPCOMPWBVGV-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 derivativesimidolactamslactamsmonoalkyl phosphatesmonosaccharidesorganic carbonic acids and derivativesorganic oxidesorganic pyrophosphatesorganopnictogen compoundsoxacyclic compoundspentose phosphatesprimary aminespyrazinespyrimidine ribonucleoside diphosphatespyrimidonesquinoxalinessecondary alcoholstetrahydrofurans |
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| Substituents | lactampentose phosphatemonosaccharidepentose-5-phosphatepyrimidonepteridineisoalloxazineflavinpyrimidinesaccharideorganic oxidediazanaphthalenearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundimidolactamorganoheterocyclic compoundalcoholquinoxalinecarbonic acid derivativeazacycleflavin nucleotidetetrahydrofuranheteroaromatic compoundorganic pyrophosphateoxacyclepyrimidine ribonucleoside diphosphateorganic oxygen compoundphosphoric acid estermonoalkyl phosphatepyrazinesecondary alcoholhydrocarbon derivativebenzenoidprimary amineorganic nitrogen compoundorganic phosphoric acid derivativeaminealkyl phosphateorganooxygen compound |
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