| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:56:29 UTC |
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| Update Date | 2025-03-25 00:52:21 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02193181 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H22NO2+ |
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| Molecular Mass | 236.1645 |
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| SMILES | CCCC1c2cc(O)c(O)cc2CC[N+]1(C)C |
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| InChI Key | CEAQQJGHSUGBKD-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-hydroxy-2-unsubstituted benzenoidsaralkylaminesazacyclic compoundsbenzenoidshydrocarbon derivativesorganic cationsorganic saltsorganooxygen compoundsorganopnictogen compoundstetraalkylammonium salts |
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| Substituents | tetraalkylammonium saltazacyclequaternary ammonium salt1-hydroxy-2-unsubstituted benzenoidaralkylamineorganic oxygen compoundaromatic heteropolycyclic compoundorganonitrogen compoundtetrahydroisoquinolineorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganic cationorganic saltamineorganooxygen compound |
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