| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:50:13 UTC |
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| Update Date | 2025-03-21 18:02:36 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00039045 |
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| Frequency | 89.3 |
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| Structure | |
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| Chemical Formula | C19H21NO4 |
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| Molecular Mass | 327.1471 |
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| SMILES | COc1ccc(CC2c3cc4c(cc3CCN2C)OCO4)cc1O |
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| InChI Key | LZDZXNMXZLWRLZ-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 benzenoids1-hydroxy-4-unsubstituted benzenoidsacetalsalkyl aryl ethersanisolesaralkylaminesazacyclic compoundsbenzodioxoleshydrocarbon derivativesmethoxybenzenesmethoxyphenolsorganopnictogen compoundsoxacyclic compoundsphenoxy compoundstetrahydroisoquinolinestrialkylamines |
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| Substituents | phenol ethermonocyclic benzene moietyether1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl etheraralkylamineacetalaromatic heteropolycyclic compoundorganonitrogen compoundtetrahydroisoquinolineorganopnictogen compoundtertiary aminebenzodioxoleazacycletertiary aliphatic amine1-hydroxy-4-unsubstituted benzenoidmethoxybenzenebenzylisoquinolineoxacycleorganic oxygen compoundanisolephenolhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundamineorganooxygen compound |
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