| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:13:32 UTC |
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| Update Date | 2025-03-25 00:58:41 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02232243 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H19N3O2 |
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| Molecular Mass | 261.1477 |
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| SMILES | CCC(NC(=N)N1CCc2ccccc2C1)C(=O)O |
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| InChI Key | LQHPYSPBKAGQDS-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 acidsazacyclic compoundsbenzenoidscarbonyl compoundscarboximidamidescarboxylic acidsguanidineshydrocarbon derivativesiminesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compounds |
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| Substituents | carbonyl groupcarboxylic acidazacycleguanidineiminealpha-amino acid or derivativescarboximidamidecarboxylic acid derivativeorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundaromatic heteropolycyclic compoundorganonitrogen compoundtetrahydroisoquinolinealpha-amino acidorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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