| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:39:15 UTC |
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| Update Date | 2025-03-21 17:58:20 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00013750 |
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| Frequency | 323.8 |
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| Structure | |
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| Chemical Formula | C15H17N4O9P |
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| Molecular Mass | 428.0733 |
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| SMILES | O=c1nc2n(CC(O)C(O)C(O)COP(=O)(O)O)c3ccccc3nc-2c(=O)[nH]1 |
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| InChI Key | KZGQTQFWNCKVJH-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 | alloxazines and isoalloxazines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | azacyclic compoundsbenzenoidsdiazanaphthalenesheteroaromatic compoundshydrocarbon derivativeslactamsmonoalkyl phosphatesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrazinespyrimidonesquinoxalinessecondary alcohols |
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| Substituents | lactampyrimidoneisoalloxazinepyrimidineorganic oxidediazanaphthalenearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundalcoholquinoxalinecarbonic acid derivativeazacycleheteroaromatic compoundorganic oxygen compoundphosphoric acid estermonoalkyl phosphatepyrazinesecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphateorganooxygen compound |
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