| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:20:28 UTC |
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| Update Date | 2025-03-21 18:36:36 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00111468 |
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| Frequency | 23.9 |
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| Structure | |
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| Chemical Formula | C18H21NO2 |
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| Molecular Mass | 283.1572 |
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| SMILES | COc1ccc(CC2NCCc3ccccc32)cc1OC |
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| InChI Key | OINUIVDXTPPAHH-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 ethersanisolesazacyclic compoundsdialkylaminesdimethoxybenzeneshydrocarbon derivativesorganopnictogen compoundsphenoxy compoundstetrahydroisoquinolines |
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| Substituents | phenol ethermonocyclic benzene moietyetheralkyl aryl etherdimethoxybenzenearomatic heteropolycyclic compoundo-dimethoxybenzeneorganonitrogen compoundtetrahydroisoquinolineorganopnictogen compoundsecondary aliphatic amineazacyclesecondary aminemethoxybenzenebenzylisoquinolineorganic oxygen compoundanisolehydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundorganooxygen compoundamine |
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