| Record Information |
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| HMDB Status | expected |
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| Creation Date | 2024-02-20 23:35:55 UTC |
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| Update Date | 2025-03-21 17:57:09 UTC |
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| HMDB ID | HMDB0006921 |
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| Metabolite Identification |
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| DeepMet ID | DMID00005934 |
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| Name | (S)-3-Hydroxy-N-methylcoclaurine |
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| Frequency | 885.5 |
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| Structure | |
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| Chemical Formula | C18H21NO4 |
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| Molecular Mass | 315.1471 |
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| SMILES | COc1cc2c(cc1O)C(Cc1ccc(O)c(O)c1)N(C)CC2 |
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| InChI Key | DAUPWJBRVZCBQB-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 benzenoidsalkyl aryl ethersanisolesaralkylaminesazacyclic compoundsbenzene and substituted derivativeshydrocarbon derivativesorganopnictogen compoundstetrahydroisoquinolinestrialkylamines |
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| Substituents | phenol ethermonocyclic benzene moietyether1-hydroxy-2-unsubstituted benzenoidalkyl aryl etheraralkylaminearomatic heteropolycyclic compoundorganonitrogen compoundtetrahydroisoquinolineorganopnictogen compoundtertiary amineazacycletertiary aliphatic amine1-hydroxy-4-unsubstituted benzenoidbenzylisoquinolineorganic oxygen compoundanisolephenolhydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compound |
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