| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:53:49 UTC |
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| Update Date | 2025-03-21 18:03:59 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00047711 |
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| Frequency | 69.7 |
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| Structure | |
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| Chemical Formula | C13H13N3O |
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| Molecular Mass | 227.1059 |
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| SMILES | CC(=O)NCCc1c[nH]c2ccc(C#N)cc12 |
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| InChI Key | VDPHMAUEQARMQS-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 | indoles and derivatives |
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| Subclass | indoles |
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| Direct Parent | indoles |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | acetamidesazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesnitrilesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrrolessecondary carboxylic acid amides |
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| Substituents | carbonyl groupnitrileazacycleindoleheteroaromatic compoundcarboxamide groupcarboxylic acid derivativesecondary carboxylic acid amideorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundpyrroleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundcarbonitrileacetamideorganooxygen compound |
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