| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:47:06 UTC |
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| Update Date | 2025-03-21 18:01:12 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00031570 |
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| Frequency | 116.5 |
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| Structure | |
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| Chemical Formula | C7H5N3O3 |
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| Molecular Mass | 179.0331 |
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| SMILES | O=c1ccc2[nH]c(=O)[nH]c2c(=O)[nH]1 |
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| InChI Key | YHNAAPKDKLWUSK-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 derivativesimidazoleslactamsorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsvinylogous amides |
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| Substituents | vinylogous amidecarbonic acid derivativelactamazacycleheteroaromatic compoundorganic oxideazepineorganic oxygen compoundaromatic heteropolycyclic compoundimidazoleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundazole |
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