| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:39:32 UTC |
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| Update Date | 2025-03-25 00:46:21 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02154775 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H22NO4+ |
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| Molecular Mass | 280.1543 |
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| SMILES | COc1cc2c(cc1O)C(CCC(=O)O)[N+](C)(C)CC2 |
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| InChI Key | SYZRWBWDBAXSKE-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 benzenoidsalkyl aryl ethersanisolesaralkylaminesazacyclic compoundscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic cationsorganic oxidesorganic saltsorganopnictogen compoundstetraalkylammonium salts |
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| Substituents | phenol ethercarbonyl groupethercarboxylic acid1-hydroxy-2-unsubstituted benzenoidalkyl aryl ethercarboxylic acid derivativearalkylamineorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundtetrahydroisoquinolineorganopnictogen compoundorganic cationorganic salttetraalkylammonium saltazacyclequaternary ammonium saltmonocarboxylic acid or derivativesorganic oxygen compoundanisolehydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compound |
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