| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:43:47 UTC |
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| Update Date | 2025-03-25 00:47:49 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02164221 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H15NO3 |
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| Molecular Mass | 221.1052 |
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| SMILES | CC(O)C(=O)C(Cc1ccccc1)NC=O |
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| InChI Key | UNZHBDQCQBTLQM-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 | phenethylamines |
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| Direct Parent | amphetamines and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | acyloinsalpha-hydroxy ketonesbenzene and substituted derivativescarboxylic acids and derivativeshydrocarbon derivativesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary alcoholssecondary carboxylic acid amides |
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| Substituents | alcoholcarbonyl groupmonosaccharidecarboxamide groupalpha-hydroxy ketonecarboxylic acid derivativeketonearomatic homomonocyclic compoundsecondary carboxylic acid amidesaccharideorganic oxideorganic oxygen compoundacyloinorganonitrogen compoundsecondary alcoholorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamphetamine or derivatives |
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