| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:01:13 UTC |
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| Update Date | 2025-03-25 00:54:05 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02204035 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H21BrN2O |
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| Molecular Mass | 360.0837 |
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| SMILES | OC(c1ccc(Br)cc1)C1CCN(Cc2cccnc2)CC1 |
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| InChI Key | JKFOIONUJKMQNZ-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 | aralkylaminesaromatic alcoholsaryl bromidesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesorganobromidesorganopnictogen compoundspiperidinessecondary alcoholstrialkylamines |
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| Substituents | aromatic alcoholaromatic heteromonocyclic compoundorganohalogen compoundaralkylamineorganonitrogen compoundorganopnictogen compoundpiperidinetertiary amineorganoheterocyclic compoundalcoholazacycleheteroaromatic compoundtertiary aliphatic aminehydroxypyridinebromobenzenearyl halidepyridineorganic oxygen compoundsecondary alcoholorganobromidehydrocarbon derivativeorganic nitrogen compoundaryl bromideamineorganooxygen compound |
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