| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:48:39 UTC |
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| Update Date | 2025-03-25 00:49:36 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02175394 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H13N4O9P |
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| Molecular Mass | 400.042 |
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| SMILES | O=c1nc2n(CC(O)COP(=O)(O)O)c3cc(O)c(O)cc3nc-2c(=O)[nH]1 |
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| InChI Key | MGRRSEGZGWKZEQ-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 | 1-hydroxy-2-unsubstituted benzenoidsazacyclic compoundsbenzenoidsdiazanaphthalenesheteroaromatic compoundshydrocarbon derivativeslactamsmonoalkyl phosphatesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrazinespyrimidonesquinoxalinessecondary alcohols |
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| Substituents | lactam1-hydroxy-2-unsubstituted benzenoidpyrimidoneisoalloxazinepyrimidineorganic 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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