| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:20:17 UTC |
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| Update Date | 2025-03-21 18:36:31 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00111025 |
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| Frequency | 24.0 |
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| Structure | |
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| Chemical Formula | C13H13N7O2 |
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| Molecular Mass | 299.1131 |
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| SMILES | COc1cc(-c2nc3c(N)nc(N)nc3nc2N)ccc1O |
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| InChI Key | KNMYCVXLUZDKLG-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 | pteridines and derivatives |
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| Direct Parent | pteridines and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalkyl aryl ethersanisolesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesimidolactamsmethoxybenzenesmethoxyphenolsorganopnictogen compoundsphenoxy compoundsprimary aminespyrazinespyrimidines and pyrimidine derivatives |
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| Substituents | phenol ethermonocyclic benzene moietyether1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl etherpteridinepyrimidinearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundimidolactamazacycleheteroaromatic compoundmethoxybenzeneorganic oxygen compoundanisolepyrazinephenolhydrocarbon derivativebenzenoidprimary amineorganic nitrogen compoundphenoxy compoundamineorganooxygen compound |
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