| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:23:59 UTC |
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| Update Date | 2025-03-21 18:38:16 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00119963 |
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| Frequency | 21.7 |
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| Structure | |
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| Chemical Formula | C12H10BrN7 |
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| Molecular Mass | 331.0181 |
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| SMILES | Nc1nc(N)c2nc(-c3ccc(Br)cc3)c(N)nc2n1 |
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| InChI Key | XTRGNVMQHODCNX-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 | aryl bromidesazacyclic compoundsbromobenzenesheteroaromatic compoundshydrocarbon derivativesimidolactamsorganobromidesorganopnictogen compoundsprimary aminespyrazinespyrimidines and pyrimidine derivatives |
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| Substituents | monocyclic benzene moietyazacycleheteroaromatic compoundbromobenzenepteridineorganohalogen compoundaryl halidepyrimidinearomatic heteropolycyclic compoundpyrazineorganonitrogen compoundorganobromideorganopnictogen compoundhydrocarbon derivativebenzenoidprimary amineorganic nitrogen compoundhalobenzeneimidolactamaryl bromideamine |
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