| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:20:10 UTC |
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| Update Date | 2025-03-25 01:01:11 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02247521 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C6H5BrN4 |
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| Molecular Mass | 211.9698 |
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| SMILES | Nc1ncnc2[nH]cc(Br)c12 |
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| InChI Key | XBMGMUJNRRQVIR-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 | aryl bromidesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesimidolactamsorganobromidesorganopnictogen compoundsprimary aminespyrimidines and pyrimidine derivativespyrroles |
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| Substituents | azacycleheteroaromatic compoundorganohalogen compoundaryl halidepyrimidinepyrrolo[2,3-d]pyrimidinearomatic heteropolycyclic compoundpyrroleorganonitrogen compoundorganobromideorganopnictogen compoundhydrocarbon derivativeprimary amineorganic nitrogen compoundimidolactamaryl bromideamine |
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