| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:50:13 UTC |
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| Update Date | 2025-03-25 00:50:08 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02178996 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C19H28N2O |
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| Molecular Mass | 300.2202 |
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| SMILES | COc1ccc(CC2C3CCC4CC3(CCN2C)N4C)cc1 |
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| InChI Key | XTPSEMJAINCLEI-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 | 2-benzylpiperidinesalkyl aryl ethersanisolesazacyclic compoundsazetidineshydrocarbon derivativesmethoxybenzenesnaphthyridinesorganopnictogen compoundsphenoxy compoundstrialkylamines |
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| Substituents | phenol ethermonocyclic benzene moietyether2-benzylpiperidinealkyl aryl etherdiazanaphthalenearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundpiperidinetertiary aminebenzylpiperidinenaphthyridineazacycletertiary aliphatic aminemethoxybenzenebenzylisoquinolineazetidineorganic oxygen compoundanisolehydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundamineorganooxygen compound |
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