| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:39:02 UTC |
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| Update Date | 2025-03-25 00:46:09 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02153588 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H20ClNO |
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| Molecular Mass | 301.1233 |
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| SMILES | COc1ccc(CC2c3cc(Cl)ccc3CCN2C)cc1 |
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| InChI Key | OBBYPNSMMZWDJX-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 | isoquinolines and derivatives |
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| Subclass | benzylisoquinolines |
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| Direct Parent | benzylisoquinolines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alkyl aryl ethersanisolesaralkylaminesaryl chloridesazacyclic compoundshydrocarbon derivativesmethoxybenzenesorganochloridesorganopnictogen compoundsphenoxy compoundstetrahydroisoquinolinestrialkylamines |
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| Substituents | phenol ethermonocyclic benzene moietyetherorganochloridealkyl aryl etherorganohalogen compoundaralkylaminearomatic heteropolycyclic compoundorganonitrogen compoundtetrahydroisoquinolineorganopnictogen compoundtertiary aminearyl chlorideazacycletertiary aliphatic aminemethoxybenzenebenzylisoquinolinearyl halideorganic oxygen compoundanisolehydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundamineorganooxygen compound |
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