| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:14:28 UTC |
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| Update Date | 2025-03-25 00:59:01 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02234387 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H18NO3+ |
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| Molecular Mass | 224.1281 |
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| SMILES | C[N+]1(CCO)CCc2cc(O)c(O)cc2C1 |
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| InChI Key | ZYOIVGZDHKKLJI-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 benzenoidsalcohols and polyolsaralkylaminesazacyclic compoundsbenzenoidshydrocarbon derivativesorganic cationsorganic saltsorganopnictogen compoundstetraalkylammonium salts |
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| Substituents | alcoholtetraalkylammonium saltazacycle1,2-aminoalcoholquaternary ammonium salt1-hydroxy-2-unsubstituted benzenoidaralkylamineorganic oxygen compoundaromatic heteropolycyclic compoundorganonitrogen compoundtetrahydroisoquinolineorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganic cationorganic saltamineorganooxygen compoundalkanolamine |
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