| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:50:22 UTC |
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| Update Date | 2025-03-25 00:50:11 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02179331 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H14ClNO |
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| Molecular Mass | 259.0764 |
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| SMILES | Oc1ccc(C2NCCc3ccccc32)cc1Cl |
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| InChI Key | CBEOSYPUBRVKKT-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 | 1-phenyltetrahydroisoquinolines |
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| Direct Parent | 1-phenyltetrahydroisoquinolines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsaryl chloridesazacyclic compoundschlorobenzenesdialkylamineshalophenolshydrocarbon derivativeso-chlorophenolsorganochloridesorganooxygen compoundsorganopnictogen compounds |
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| Substituents | monocyclic benzene moietyorganochloride1-hydroxy-2-unsubstituted benzenoidorganohalogen compound1-phenyltetrahydroisoquinolinearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundaryl chloride2-chlorophenolchlorobenzenesecondary aliphatic amineazacyclesecondary aminearyl halide2-halophenolorganic oxygen compoundphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundhalobenzeneorganooxygen compoundamine |
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