| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:54:21 UTC |
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| Update Date | 2025-03-25 00:51:39 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02188414 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H16N2O3 |
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| Molecular Mass | 236.1161 |
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| SMILES | CC(O)C(=O)C(N)CC(=O)c1ccccc1N |
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| InChI Key | CVIPQBKALLVZOF-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 | alkyl-phenylketones |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | acyloinsalpha-hydroxy ketonesaryl alkyl ketonesbenzoyl derivativesbutyrophenoneshydrocarbon derivativesmonoalkylaminesmonosaccharidesorganic oxidesorganopnictogen compoundssecondary alcoholsvinylogous amides |
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| Substituents | monocyclic benzene moietyaryl alkyl ketonebenzoylmonosaccharidealpha-hydroxy ketonesaccharideorganic oxideorganonitrogen compoundorganopnictogen compoundalcoholvinylogous amidebutyrophenonearomatic homomonocyclic compoundacyloinsecondary alcoholhydrocarbon derivativebenzenoidprimary aliphatic amineprimary amineorganic nitrogen compoundaminealkyl-phenylketone |
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