| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:59:41 UTC |
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| Update Date | 2025-03-25 00:53:35 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02200561 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H21NO3 |
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| Molecular Mass | 299.1521 |
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| SMILES | COc1ccc(CN2CCc3cc(O)c(O)cc3C2C)cc1 |
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| InChI Key | XZORZYLLKBLKJJ-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 | 1-hydroxy-2-unsubstituted benzenoidsalkyl aryl ethersanisolesaralkylaminesazacyclic compoundsbenzylamineshydrocarbon derivativesmethoxybenzenesorganopnictogen compoundsphenoxy compoundsphenylmethylaminestetrahydroisoquinolinestrialkylamines |
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| Substituents | phenol ethermonocyclic benzene moietyether1-hydroxy-2-unsubstituted benzenoidalkyl aryl etheraralkylaminearomatic heteropolycyclic compoundorganonitrogen compoundtetrahydroisoquinolineorganopnictogen compoundtertiary amineazacycletertiary aliphatic aminemethoxybenzenebenzylisoquinolinephenylmethylamineorganic oxygen compoundbenzylamineanisolehydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundamineorganooxygen compound |
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