| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:06:54 UTC |
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| Update Date | 2025-03-25 00:56:16 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02217299 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H12BrNO |
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| Molecular Mass | 277.0102 |
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| SMILES | CC(O)(c1ccc(Br)cc1)c1ccccn1 |
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| InChI Key | WNEHLPVUFIGJLV-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | benzene and substituted derivatives |
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| Subclass | halobenzenes |
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| Direct Parent | bromobenzenes |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 2-halopyridinesaromatic alcoholsaryl bromidesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmethylpyridinesorganobromidesorganonitrogen compoundsorganopnictogen compoundstertiary alcohols |
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| Substituents | aromatic alcoholaromatic heteromonocyclic compoundorganohalogen compoundorganonitrogen compoundorganopnictogen compound2-halopyridineorganoheterocyclic compoundalcoholazacycleheteroaromatic compoundhydroxypyridinebromobenzenemethylpyridinearyl halidetertiary alcoholpyridineorganic oxygen compoundorganobromidehydrocarbon derivativeorganic nitrogen compoundaryl bromideorganooxygen compound |
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