| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:16:59 UTC |
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| Update Date | 2025-03-21 18:34:54 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00102941 |
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| Frequency | 26.4 |
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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 | COc1cc2c(cc1O)CCN(C)C2Cc1ccc(O)cc1 |
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| InChI Key | HTSOYRHMEMWMRT-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 compoundsbenzene and substituted derivativeshydrocarbon derivativesorganopnictogen compoundstetrahydroisoquinolinestrialkylamines |
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| Substituents | phenol ethermonocyclic benzene moietyetherazacycletertiary aliphatic amine1-hydroxy-2-unsubstituted benzenoidalkyl aryl etherbenzylisoquinolinearalkylamineorganic oxygen compoundaromatic heteropolycyclic compoundanisoleorganonitrogen compoundtetrahydroisoquinolineorganopnictogen compoundphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundaminetertiary amineorganooxygen compound |
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