| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:30:27 UTC |
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| Update Date | 2025-03-21 18:41:35 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00135051 |
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| Frequency | 18.6 |
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| Structure | |
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| Chemical Formula | C12H14N2O3 |
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| Molecular Mass | 234.1004 |
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| SMILES | NC(CCC1C(O)=Nc2ccccc21)C(=O)O |
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| InChI Key | VBGXZFPHLTXQTM-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | amino acids, peptides, and analogues |
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| Direct Parent | alpha amino acids |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 3-alkylindolesazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidscyclic carboximidic acidshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compounds |
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| Substituents | carbonyl groupcarboxylic acidindole3-alkylindolepropargyl-type 1,3-dipolar organic compoundorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundazacycleindole or derivativesorganic 1,3-dipolar compoundmonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundcyclic carboximidic acidorganooxygen compound |
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