| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:04:16 UTC |
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| Update Date | 2025-03-25 00:55:12 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02211174 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H12BrNO2 |
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| Molecular Mass | 269.0051 |
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| SMILES | CC(=O)N1Cc2cc(Br)ccc2C(O)C1 |
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| InChI Key | QVKVINUTGIBJLL-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | tetrahydroisoquinolines |
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| Subclass | tetrahydroisoquinolines |
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| Direct Parent | tetrahydroisoquinolines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | acetamidesaryl bromidesazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesorganobromidesorganonitrogen compoundsorganopnictogen compoundssecondary alcoholstertiary carboxylic acid amides |
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| Substituents | alcoholcarbonyl groupazacyclecarboxamide groupcarboxylic acid derivativeorganohalogen compoundaryl halideorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundtertiary carboxylic acid amideorganonitrogen compoundtetrahydroisoquinolinesecondary alcoholorganobromideorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundaryl bromideacetamideorganooxygen compound |
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