| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:08:00 UTC |
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| Update Date | 2025-03-25 00:56:39 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02219845 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H9N2O2+ |
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| Molecular Mass | 165.0659 |
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| SMILES | C[n+]1cccc(C(N)=O)cc1=O |
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| InChI Key | OUJJMKTXUIJGFA-UHFFFAOYSA-O |
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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 heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundscarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativeslactamsorganic cationsorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsprimary carboxylic acid amides |
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| Substituents | primary carboxylic acid amidelactamaromatic heteromonocyclic compoundazacycleheteroaromatic compoundcarboxamide groupcarboxylic acid derivativeorganic oxideorganic oxygen compoundazepineorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganic cationorganooxygen compound |
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