| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 09:35:07 UTC |
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| Update Date | 2025-03-24 20:23:11 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01431483 |
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| Frequency | 0.9 |
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| Structure | |
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| Chemical Formula | C6H6N2O2 |
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| Molecular Mass | 138.0429 |
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| SMILES | Nc1cc(=O)ccc(=O)[nH]1 |
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| InChI Key | KKJOZAWLMUNNAU-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 heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundscyclic ketonesheteroaromatic compoundshydrocarbon derivativeslactamsorganic oxidesorganooxygen compoundsorganopnictogen compoundsprimary aminesvinylogous amides |
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| Substituents | vinylogous amidelactamaromatic heteromonocyclic compoundazacycleheteroaromatic compoundcyclic ketoneorganic oxideazepineorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compound |
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