| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:08:35 UTC |
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| Update Date | 2025-03-21 18:30:35 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00082798 |
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| Frequency | 34.8 |
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| Structure | |
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| Chemical Formula | C12H15N5O2 |
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| Molecular Mass | 261.1226 |
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| SMILES | Nc1ncnc2[nH]cc(CNC3C=CC(O)C3O)c12 |
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| InChI Key | BBWVDVLOQNATLZ-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 | 1,2-diolsazacyclic compoundsdialkylaminesheteroaromatic compoundshydrocarbon derivativesimidolactamsorganopnictogen compoundsprimary aminespyrimidines and pyrimidine derivativespyrrolessecondary alcohols |
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| Substituents | alcoholsecondary aliphatic amineazacycleheteroaromatic compoundsecondary aminepyrimidinepyrrolo[2,3-d]pyrimidineorganic oxygen compoundaromatic heteropolycyclic compoundpyrroleorganonitrogen compoundsecondary alcoholorganopnictogen compoundhydrocarbon derivativeprimary amineorganic nitrogen compoundimidolactamamineorganooxygen compound1,2-diol |
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