| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:30:07 UTC |
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| Update Date | 2025-03-21 18:41:26 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00134313 |
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| Frequency | 18.7 |
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| Structure | |
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| Chemical Formula | C16H18N2O3 |
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| Molecular Mass | 286.1317 |
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| SMILES | CC(=O)NCCC(=O)c1ccccc1NCc1ccco1 |
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| InChI Key | CIKXFRKDCPCZSX-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 heteromonocyclic compounds |
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| Alternative Parents | acetamidesamino acids and derivativesaryl alkyl ketonesbenzoyl derivativescarboxylic acids and derivativesfuransheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganopnictogen compoundsoxacyclic compoundsphenylalkylaminessecondary alkylarylaminessecondary carboxylic acid amidesvinylogous amides |
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| Substituents | furanmonocyclic benzene moietyaryl alkyl ketonearomatic heteromonocyclic compoundamino acid or derivativesbenzoylcarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundacetamidevinylogous amideheteroaromatic compoundsecondary aminecarboxamide groupsecondary aliphatic/aromatic amineoxacyclesecondary carboxylic acid amidephenylalkylaminehydrocarbon derivativebenzenoidorganic nitrogen compoundaminealkyl-phenylketone |
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