| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:00:45 UTC |
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| Update Date | 2025-03-25 00:53:56 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02202956 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H8N2O2 |
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| Molecular Mass | 176.0586 |
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| SMILES | O=C1CNc2ccccc2C(O)=N1 |
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| InChI Key | MPKOCPLCVPHANZ-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 | benzodiazepines |
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| Subclass | 1,4-benzodiazepines |
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| Direct Parent | 1,4-benzodiazepines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alpha amino acidsazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativesn-acyliminesorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundssecondary alkylarylamines |
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| Substituents | n-acyliminecarbonyl groupamino acid or derivativesalpha-amino acid or derivativescarboxylic acid derivativepropargyl-type 1,3-dipolar organic compoundorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundazacycleorganic 1,3-dipolar compoundsecondary aminesecondary aliphatic/aromatic amine1,4-benzodiazepineorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compound |
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