| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:53:04 UTC |
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| Update Date | 2025-03-25 00:51:13 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02185470 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H17N4O6+ |
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| Molecular Mass | 361.1143 |
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| SMILES | Nc1ncnc2c1[o+]c(-c1ccc(O)cc1)n2C1OC(CO)C(O)C1O |
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| InChI Key | IHOGWPHVNALNAN-UHFFFAOYSA-O |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | phenols |
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| Subclass | 1-hydroxy-2-unsubstituted benzenoids |
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| Direct Parent | 1-hydroxy-2-unsubstituted benzenoids |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | azacyclic compoundsbenzene and substituted derivativesheteroaromatic compoundshydrocarbon derivativesimidolactamsmonosaccharidesorganic cationsorganopnictogen compoundsoxacyclic compoundsoxazolesprimary alcoholsprimary aminespyrimidines and pyrimidine derivativessecondary alcoholstetrahydrofurans |
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| Substituents | monocyclic benzene moietyoxazole1-hydroxy-2-unsubstituted benzenoidmonosaccharidepyrimidinesaccharidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundorganic cationprimary alcoholimidolactamorganoheterocyclic compoundazolealcoholazacycletetrahydrofuranheteroaromatic compoundoxacycleorganic oxygen compoundsecondary alcoholhydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compound |
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