| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:56:46 UTC |
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| Update Date | 2025-03-21 18:05:03 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00054500 |
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| Frequency | 59.0 |
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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(CC(=O)C(O)C(O)COP(=O)(O)O)c2cc1C |
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| InChI Key | FJINIJPQNJLHJO-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-diolsacyloinsalpha-hydroxy ketonesazacyclic compoundsbenzenoidsbeta-hydroxy ketonesdiazanaphthalenesheteroaromatic compoundshydrocarbon derivativeslactamsmonoalkyl phosphatesmonosaccharidesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspentose phosphatespyrazinespyrimidonesquinoxalinessecondary alcohols |
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| Substituents | beta-hydroxy ketonecarbonyl grouplactampentose-5-phosphatemonosaccharidepyrimidonealpha-hydroxy ketoneflavinpyrimidineketonesaccharideorganic oxidediazanaphthalenearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compound1,2-diolalcoholquinoxalinecarbonic acid derivativeazacycleheteroaromatic compoundorganic oxygen compoundphosphoric acid estermonoalkyl phosphatepyrazineacyloinsecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphateorganooxygen compound |
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