| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:00:33 UTC |
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| Update Date | 2025-03-25 00:53:52 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02202492 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H15NO2 |
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| Molecular Mass | 217.1103 |
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| SMILES | O=C(O)c1ccc2c(c1)CCN1CCCC21 |
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| InChI Key | QSOJEAJFSJIBCG-UHFFFAOYSA-N |
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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 | amino acidsaralkylaminesazacyclic compoundsbenzenoidscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesn-alkylpyrrolidinesorganic oxidesorganooxygen compoundsorganopnictogen compoundstrialkylamines |
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| Substituents | carboxylic acidazacyclen-alkylpyrrolidineamino acid or derivativesamino acidtertiary aliphatic aminecarboxylic acid derivativearalkylamineorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundaromatic heteropolycyclic compoundorganonitrogen compoundtetrahydroisoquinolineorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundpyrrolidineaminetertiary amineorganooxygen compound |
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