| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:40:12 UTC |
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| Update Date | 2025-03-25 00:46:36 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02156261 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H9N3O2 |
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| Molecular Mass | 191.0695 |
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| SMILES | Cc1c2c(=O)[nH]c(=O)ccc2nn1C |
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| InChI Key | OIKXNIYDQMYRQQ-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 | azepines |
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| Subclass | azepines |
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| Direct Parent | azepines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | azacyclic compoundsheteroaromatic compoundshydrocarbon derivativeslactamsorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspyrazolesvinylogous amides |
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| Substituents | vinylogous amidelactamazacycleheteroaromatic compoundpyrazoleorganic oxideorganic oxygen compoundazepinearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundazole |
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