| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:06:45 UTC |
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| Update Date | 2025-03-25 00:56:12 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02216913 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H17NO3 |
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| Molecular Mass | 247.1208 |
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| SMILES | O=C(O)C(=O)CCCN1CCc2ccccc2C1 |
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| InChI Key | DMXQVALSXSCHGR-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 | alpha-hydroxy ketonesalpha-keto acids and derivativesamino acidsaralkylaminesazacyclic compoundsbenzenoidscarboxylic acidsgamma-amino ketoneshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundstrialkylamines |
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| Substituents | carbonyl groupcarboxylic acidamino acid or derivativesamino acidalpha-hydroxy ketonecarboxylic acid derivativearalkylamineketoneorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-keto acidtetrahydroisoquinolineorganopnictogen compoundtertiary aminegamma-aminoketoneazacycletertiary aliphatic aminemonocarboxylic acid or derivativesorganic oxygen compoundketo acidhydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compound |
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