| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:00:53 UTC |
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| Update Date | 2025-03-25 00:53:58 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02203265 |
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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 | O=C(O)CC1NCCc2cc(Br)ccc21 |
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| InChI Key | UFVBUHRPWVMIFQ-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 | amino acidsaryl bromidesazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidsdialkylamineshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganobromidesorganopnictogen compounds |
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| Substituents | carbonyl groupcarboxylic acidamino acid or derivativesamino acidcarboxylic acid derivativeorganohalogen compoundorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundtetrahydroisoquinolineorganopnictogen compoundsecondary aliphatic amineazacyclesecondary aminearyl halidemonocarboxylic acid or derivativesorganic oxygen compoundorganobromidehydrocarbon derivativebenzenoidorganic nitrogen compoundaryl bromideorganooxygen compoundamine |
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