| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:38:49 UTC |
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| Update Date | 2025-03-25 00:46:04 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02153048 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H8Br2N2O2 |
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| Molecular Mass | 369.8953 |
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| SMILES | NC(=O)c1cc(Oc2ccc(Br)cc2Br)ccn1 |
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| InChI Key | UGCMLXCUDMLHNG-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 | 2-halopyridines2-heteroaryl carboxamidesaryl bromidesazacyclic compoundsbromobenzenescarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganobromidesorganonitrogen compoundsorganopnictogen compoundsphenol ethersphenoxy compoundspolyhalopyridinesprimary carboxylic acid amidespyridinecarboxylic acids and derivatives |
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| Substituents | primary carboxylic acid amidediaryl etherpyridine carboxylic acid or derivativesphenol ethermonocyclic benzene moietyaromatic heteromonocyclic compoundpolyhalopyridinecarboxylic acid derivativeorganohalogen compound2-heteroaryl carboxamideorganic oxideorganonitrogen compoundorganopnictogen compound2-halopyridineorganoheterocyclic compoundazacycleheteroaromatic compoundbromobenzenecarboxamide grouparyl halidepyridineorganobromidehydrocarbon derivativebenzenoidorganic nitrogen compoundhalobenzenephenoxy compoundaryl bromide |
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