| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:47:16 UTC |
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| Update Date | 2025-03-25 00:49:08 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02172196 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H12N2O2 |
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| Molecular Mass | 216.0899 |
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| SMILES | CN1Cc2cc(C#N)ccc2CC1C(=O)O |
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| InChI Key | UWAFYNHSVLFJJV-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 amino acidsamino acidsaralkylaminesazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesnitrilesorganic oxidesorganopnictogen compoundstrialkylamines |
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| Substituents | carbonyl groupnitrilecarboxylic acidamino acid or derivativesamino acidalpha-amino acid or derivativescarboxylic acid derivativearalkylamineorganic oxidearomatic heteropolycyclic compoundalpha-amino acidorganonitrogen compoundtetrahydroisoquinolineorganopnictogen compoundcarbonitriletertiary amineazacycletertiary aliphatic aminemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compound |
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