| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:18:15 UTC |
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| Update Date | 2025-03-21 18:35:31 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00106048 |
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| Frequency | 25.4 |
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| Structure | |
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| Chemical Formula | C18H23N4O8P |
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| Molecular Mass | 454.1254 |
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| SMILES | CCOP(=O)(O)OCC(O)C(O)Cn1c2nc(=O)[nH]c(=O)c-2nc2cc(C)c(C)cc21 |
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| InChI Key | LJUIZSTYHFXLRR-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 | 1,2-diolsazacyclic compoundsbenzenoidsdialkyl phosphatesdiazanaphthalenesheteroaromatic compoundshydrocarbon derivativeslactamsorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrazinespyrimidonesquinoxalinessecondary alcohols |
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| Substituents | lactampyrimidoneflavinpyrimidineorganic oxidediazanaphthalenearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compound1,2-diolalcoholquinoxalinecarbonic acid derivativeazacycleheteroaromatic compounddialkyl phosphateorganic oxygen compoundphosphoric acid esterpyrazinesecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphateorganooxygen compound |
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