| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:00:28 UTC |
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| Update Date | 2025-03-25 00:53:50 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02202333 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H20NO2+ |
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| Molecular Mass | 234.1489 |
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| SMILES | C[N+]1(C)CCc2ccccc2C1CCC(=O)O |
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| InChI Key | DSZOBBDOAJZZJB-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 | aralkylaminesazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic cationsorganic oxidesorganic saltsorganopnictogen compoundstetraalkylammonium salts |
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| Substituents | carbonyl groupcarboxylic acidtetraalkylammonium saltazacyclequaternary ammonium saltcarboxylic acid derivativearalkylamineorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundaromatic heteropolycyclic compoundorganonitrogen compoundtetrahydroisoquinolineorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganic cationorganic saltamineorganooxygen compound |
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