| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:42:17 UTC |
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| Update Date | 2025-03-25 00:47:18 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02160819 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H6Br3N3O |
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| Molecular Mass | 420.8061 |
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| SMILES | Nc1ncc(Br)c(Oc2ccc(Br)cc2Br)n1 |
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| InChI Key | VVGIZNCRZLRLKL-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | ethers |
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| Direct Parent | diarylethers |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | aryl bromidesazacyclic compoundsbromobenzeneshalopyrimidinesheteroaromatic compoundshydrocarbon derivativesorganobromidesorganopnictogen compoundsphenol ethersphenoxy compoundsprimary amines |
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| Substituents | diaryl etherphenol ethermonocyclic benzene moietyaromatic heteromonocyclic compoundorganohalogen compoundpyrimidineorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundazacycleheteroaromatic compoundbromobenzenehalopyrimidinearyl halideorganobromidehydrocarbon derivativebenzenoidprimary amineorganic nitrogen compoundhalobenzenephenoxy compoundaryl bromideamine |
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