| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:16:11 UTC |
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| Update Date | 2025-03-21 18:34:28 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00100937 |
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| Frequency | 27.1 |
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| Structure | |
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| Chemical Formula | C16H17N4O9P |
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| Molecular Mass | 440.0733 |
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| SMILES | Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(CC(O)C(OP(=O)(O)O)C(=O)O)c2cc1C |
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| InChI Key | KKQHGPFQAUDGBP-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 compoundsbenzenoidsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdiazanaphthalenesheteroaromatic compoundshydrocarbon derivativeslactamsmonoalkyl phosphatesmonocarboxylic acids and derivativesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrazinespyrimidonesquinoxalinessecondary alcohols |
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| Substituents | carbonyl grouplactamcarboxylic acidpyrimidonecarboxylic acid derivativeflavinpyrimidinebeta-hydroxy acidorganic oxidediazanaphthalenearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundalcoholquinoxalinecarbonic acid derivativeazacycleheteroaromatic compoundhydroxy acidmonocarboxylic acid or derivativesorganic oxygen compoundphosphoric acid estermonoalkyl phosphatepyrazinesecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphateorganooxygen compound |
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