| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:00:04 UTC |
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| Update Date | 2025-03-25 00:53:42 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02201422 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H20NO3+ |
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| Molecular Mass | 238.1438 |
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| SMILES | COc1cc2c(cc1O)CC[N+](C)(C)C2CO |
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| InChI Key | MVDPGYJSUGJJSN-UHFFFAOYSA-O |
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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 | tetrahydroisoquinolines |
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| Subclass | tetrahydroisoquinolines |
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| Direct Parent | tetrahydroisoquinolines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1,2-aminoalcohols1-hydroxy-2-unsubstituted benzenoidsalkyl aryl ethersanisolesaralkylaminesazacyclic compoundshydrocarbon derivativesorganic cationsorganic saltsorganopnictogen compoundsprimary alcoholstetraalkylammonium salts |
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| Substituents | phenol etherether1-hydroxy-2-unsubstituted benzenoidalkyl aryl etheraralkylaminearomatic heteropolycyclic compoundorganonitrogen compoundtetrahydroisoquinolineorganopnictogen compoundorganic cationorganic saltprimary alcoholalcoholtetraalkylammonium saltazacycle1,2-aminoalcoholquaternary ammonium saltorganic oxygen compoundanisolehydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compound |
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