| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:09:17 UTC |
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| Update Date | 2025-03-21 18:31:08 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00084415 |
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| Frequency | 34.0 |
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| Structure | |
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| Chemical Formula | C12H9BrN2 |
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| Molecular Mass | 259.9949 |
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| SMILES | Cc1nccc2c1[nH]c1ccc(Br)cc12 |
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| InChI Key | MGPZBLVKGVLQIV-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | alkaloids and derivatives |
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| Class | harmala alkaloids |
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| Subclass | harmala alkaloids |
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| Direct Parent | harmala alkaloids |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 2-halopyridinesaryl bromidesazacyclic compoundsbenzenoidsbeta carbolinesheteroaromatic compoundshydrocarbon derivativesindolesorganobromidesorganonitrogen compoundsorganopnictogen compoundspolyhalopyridinespyridines and derivativespyrroles |
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| Substituents | azacycleindolepolyhalopyridineheteroaromatic compoundharmanindole or derivativesorganohalogen compoundaryl halidepyridinearomatic heteropolycyclic compoundpyrroleorganonitrogen compoundorganobromideorganopnictogen compoundbeta-carbolinehydrocarbon derivativebenzenoid2-halopyridineorganic nitrogen compoundaryl bromideorganoheterocyclic compoundpyridoindole |
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