| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:39:38 UTC |
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| Update Date | 2025-03-25 00:46:23 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02154995 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C21H27N4O13P |
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| Molecular Mass | 574.1312 |
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| SMILES | Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(CC(O)C(O)C(O)COP(=O)(O)OC(C(=O)O)C(O)CO)c2cc1C |
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| InChI Key | UPBOLHKAIVYCGI-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 compoundsbenzenoidsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdialkyl phosphatesdiazanaphthalenesflavinsheteroaromatic compoundshydrocarbon derivativeslactamsmonocarboxylic acids and derivativesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsprimary alcoholspyrazinespyrimidonesquinoxalinessecondary alcohols |
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| Substituents | carbonyl grouplactamcarboxylic acidpyrimidonepteridinecarboxylic acid derivativeisoalloxazineflavinpyrimidinebeta-hydroxy acidorganic oxidediazanaphthalenearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundprimary alcoholorganoheterocyclic compoundalcoholquinoxalinecarbonic acid derivativeazacycleflavin nucleotideheteroaromatic compoundhydroxy aciddialkyl phosphatemonocarboxylic acid or derivativesorganic oxygen compoundphosphoric acid esterpyrazinesecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphateorganooxygen compound |
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