| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:16:10 UTC |
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| Update Date | 2025-03-21 18:34:27 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00100912 |
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| Frequency | 27.1 |
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| Structure | |
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| Chemical Formula | C11H13NO3 |
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| Molecular Mass | 207.0895 |
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| SMILES | CCOC(=O)CC(=O)c1ccccc1N |
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| InChI Key | XOJRELCSHCTOKH-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 derivativesbeta-keto acids and derivativescarboxylic acid estersfatty acid estershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsprimary aminesvinylogous amides |
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| Substituents | fatty acylmonocyclic benzene moietyaryl alkyl ketoneamino acid or derivativesbenzoylcarboxylic acid derivativebeta-keto acidorganic oxideorganonitrogen compoundorganopnictogen compoundvinylogous amidearomatic homomonocyclic compoundfatty acid estermonocarboxylic acid or derivativesketo acidcarboxylic acid esterhydrocarbon derivativebenzenoidprimary amineorganic nitrogen compoundaminealkyl-phenylketone |
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