| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:21:33 UTC |
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| Update Date | 2025-03-25 01:01:38 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02250672 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H10N2O4 |
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| Molecular Mass | 246.0641 |
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| SMILES | O=C(O)CC1N=C(C(=O)c2ccccc2)N=C1O |
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| InChI Key | LRYCILIFRMNAIY-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | benzene and substituted derivatives |
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| Subclass | benzoyl derivatives |
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| Direct Parent | benzoyl derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | aryl ketonesazacyclic compoundscarboxylic acidshydrocarbon derivativesimidazolesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compounds |
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| Substituents | carbonyl groupcarboxylic acidaromatic heteromonocyclic compoundazacyclebenzoylorganic 1,3-dipolar compoundcarboxylic acid derivativepropargyl-type 1,3-dipolar organic compoundketoneorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundimidazoleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganoheterocyclic compoundorganooxygen compoundaryl ketone |
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