| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:53:25 UTC |
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| Update Date | 2025-03-21 18:03:49 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00046788 |
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| Frequency | 85.3 |
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| Structure | |
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| Chemical Formula | C11H9NO4 |
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| Molecular Mass | 219.0532 |
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| SMILES | O=C(O)CC1C(=O)c2ccccc2N=C1O |
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| InChI Key | NLZNRUXKBUSALR-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | carbonyl compounds |
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| Direct Parent | aryl alkyl ketones |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | azacyclic compoundsbenzenoidscarboxylic acidscyclic carboximidic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compounds |
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| Substituents | carboxylic acidaryl alkyl ketoneazacycleorganic 1,3-dipolar compoundcarboxylic acid derivativepropargyl-type 1,3-dipolar organic compoundorganic oxidemonocarboxylic acid or derivativesaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundcyclic carboximidic acidorganoheterocyclic compound |
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