| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:48:22 UTC |
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| Update Date | 2025-03-21 18:01:45 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00034602 |
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| Frequency | 103.8 |
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| Structure | |
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| Chemical Formula | C11H13N3O2 |
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| Molecular Mass | 219.1008 |
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| SMILES | N=C(N)N1Cc2ccccc2CC1C(=O)O |
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| InChI Key | APLABMPSOGWIEY-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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