| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 10:21:09 UTC |
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| Update Date | 2025-03-24 20:43:04 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01541048 |
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| Frequency | 0.8 |
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| Structure | |
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| Chemical Formula | C6H8N2O |
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| Molecular Mass | 124.0637 |
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| SMILES | NC(=O)C1=NCC=CC1 |
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| InChI Key | YXRFZTFJYMKHGS-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 | carboxylic acid derivatives |
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| Direct Parent | primary carboxylic acid amides |
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| Geometric Descriptor | aliphatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundscarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativesketiminesorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compounds |
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| Substituents | primary carboxylic acid amideketiminecarbonyl groupazacycleimineorganic 1,3-dipolar compoundpropargyl-type 1,3-dipolar organic compoundorganic oxideorganic oxygen compoundaliphatic heteromonocyclic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganoheterocyclic compoundorganooxygen compound |
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