| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 17:04:15 UTC |
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| Update Date | 2025-03-25 01:41:55 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02489125 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C21H29N4O25P5 |
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| Molecular Mass | 891.9809 |
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| SMILES | Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(CC(O)C(=O)OC3C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O)C3OP(=O)(O)O)c2cc1C |
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| InChI Key | JUBCRMFRZFKKLB-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 compoundsbenzenoidscarbonyl compoundscarboxylic acid estersdiazanaphthalenesheteroaromatic compoundshydrocarbon derivativesinositol phosphateslactamsmonoalkyl phosphatesmonocarboxylic acids and derivativesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrazinespyrimidonesquinoxalinessecondary alcohols |
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| Substituents | carbonyl grouplactampyrimidoneinositol phosphatecarboxylic acid derivativeflavinpyrimidineorganic oxidediazanaphthalenearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundalcoholquinoxalinecarbonic acid derivativeazacycleheteroaromatic compoundcyclitol or derivativesmonocarboxylic acid or derivativesorganic oxygen compoundphosphoric acid estermonoalkyl phosphatepyrazinecarboxylic acid estersecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphateorganooxygen compound |
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