| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:06:51 UTC |
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| Update Date | 2025-03-25 00:56:15 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02217156 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H14N2O3 |
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| Molecular Mass | 222.1004 |
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| SMILES | Nc1ccccc1C(=O)CCCN(O)C=O |
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| InChI Key | GTBHWUAJAWUJKC-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 | amino acids and derivativesaryl alkyl ketonesbenzoyl derivativesbutyrophenonescarboxylic acids and derivativeshydrocarbon derivativeshydroxamic acidsorganic oxidesorganopnictogen compoundsphenylbutylaminesprimary aminesvinylogous amides |
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| Substituents | monocyclic benzene moietyaryl alkyl ketoneamino acid or derivativesbenzoylcarboxylic acid derivativeorganic oxidephenylbutylamineorganonitrogen compoundorganopnictogen compoundvinylogous amidebutyrophenonearomatic homomonocyclic compoundhydrocarbon derivativebenzenoidprimary amineorganic nitrogen compoundhydroxamic acidaminealkyl-phenylketone |
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