Record Information |
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HMDB Status | Not Available |
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Creation Date | 2024-02-21 00:18:50 UTC |
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Update Date | 2025-03-21 18:35:50 UTC |
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HMDB ID | Not Available |
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Metabolite Identification |
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DeepMet ID | DMID00107526 |
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Frequency | 25.0 |
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Structure | |
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Chemical Formula | C17H19N4O9P |
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Molecular Mass | 454.089 |
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SMILES | Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(C3OC(CO)C(OP(=O)(O)O)C3O)c2cc1C |
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InChI Key | SXCOHKDZPMBKKC-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 phosphatesmonosaccharidesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundspentose phosphatesprimary alcoholspyrazinespyrimidonesquinoxalinessecondary alcoholstetrahydrofurans |
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Substituents | lactampentose phosphatemonosaccharidepyrimidoneflavinpyrimidinesaccharideorganic oxidediazanaphthalenearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundprimary alcoholalcoholquinoxalinecarbonic acid derivativeazacycletetrahydrofuranheteroaromatic compoundoxacycleorganic oxygen compoundphosphoric acid estermonoalkyl phosphatepyrazinesecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphateorganooxygen compound |
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