| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:28:46 UTC |
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| Update Date | 2025-03-21 18:40:47 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00131287 |
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| Frequency | 19.3 |
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| Structure | |
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| Chemical Formula | C10H12ClN |
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| Molecular Mass | 181.0658 |
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| SMILES | CC1NCCc2cc(Cl)ccc21 |
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| InChI Key | MPXZXQCXHQSKAT-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 | aryl chloridesazacyclic compoundsbenzenoidsdialkylamineshydrocarbon derivativesorganochloridesorganopnictogen compounds |
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| Substituents | aryl chloridesecondary aliphatic amineazacycleorganochloridesecondary amineorganohalogen compoundaryl halidearomatic heteropolycyclic compoundorganonitrogen compoundtetrahydroisoquinolineorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundamine |
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