| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 10:02:53 UTC |
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| Update Date | 2025-03-24 20:35:05 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01496413 |
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| Frequency | 0.9 |
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| Structure | |
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| Chemical Formula | C9H6N2 |
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| Molecular Mass | 142.0531 |
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| SMILES | C1=Cc2cccc3c2NC3=N1 |
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| InChI Key | AGNGCVQMRIGXTD-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 | amidinesazacyclic compoundsbenzenoidshydrocarbon derivativesimidolactamsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compounds |
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| Substituents | azacycleorganic 1,3-dipolar compoundamidinepropargyl-type 1,3-dipolar organic compoundazepinearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundimidolactam |
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