| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:02:32 UTC |
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| Update Date | 2025-03-25 00:54:33 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02207031 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H11NO4 |
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| Molecular Mass | 233.0688 |
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| SMILES | O=C(O)C1=CN(c2ccc(O)cc2)C(=O)CC1 |
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| InChI Key | RAHKGPNCKRRCJC-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 | phenols |
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| Subclass | 1-hydroxy-2-unsubstituted benzenoids |
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| Direct Parent | 1-hydroxy-2-unsubstituted benzenoids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundsbenzene and substituted derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativeslactamsmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundstertiary carboxylic acid amidestetrahydropyridinesvinylogous amides |
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| Substituents | vinylogous amidemonocyclic benzene moietycarbonyl grouplactamcarboxylic acidaromatic heteromonocyclic compoundazacycle1-hydroxy-2-unsubstituted benzenoidtetrahydropyridinecarboxamide groupcarboxylic acid derivativeorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundtertiary carboxylic acid amideorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganoheterocyclic compoundorganooxygen compound |
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