| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:41:31 UTC |
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| Update Date | 2025-03-25 00:47:03 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02159136 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H9N3O2 |
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| Molecular Mass | 227.0695 |
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| SMILES | Oc1ccc(-c2cc3c(O)ncnc3[nH]2)cc1 |
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| InChI Key | LFYRXCMZGSMVBH-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 | pyrrolopyrimidines |
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| Subclass | pyrrolo[2,3-d]pyrimidines |
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| Direct Parent | pyrrolo[2,3-d]pyrimidines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsazacyclic compoundsbenzene and substituted derivativesheteroaromatic compoundshydrocarbon derivativeshydroxypyrimidinesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspyrroles |
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| Substituents | monocyclic benzene moietyazacycleheteroaromatic compound1-hydroxy-2-unsubstituted benzenoidhydroxypyrimidinepyrimidinepyrrolo[2,3-d]pyrimidineorganic oxygen compoundaromatic heteropolycyclic compoundpyrroleorganonitrogen compoundorganopnictogen compoundphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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