| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:42:49 UTC |
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| Update Date | 2025-03-25 00:47:28 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02161996 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H11N3O2 |
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| Molecular Mass | 217.0851 |
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| SMILES | O=C(O)C1CN2Cc3ccccc3N=C2N1 |
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| InChI Key | FTLQCNNRAPCCAN-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 | diazanaphthalenes |
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| Subclass | benzodiazines |
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| Direct Parent | quinazolines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alpha amino acidsazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidsdiazanaphthalenesguanidineshydrocarbon derivativesimidazolidinesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compounds |
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| Substituents | imidazolidinecarbonyl groupcarboxylic acidazacycleguanidineorganic 1,3-dipolar compoundalpha-amino acid or derivativescarboxylic acid derivativepropargyl-type 1,3-dipolar organic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundaromatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundquinazolineorganooxygen compound |
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