| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:23:16 UTC |
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| Update Date | 2025-03-25 01:02:13 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02254486 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C22H33N3O5 |
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| Molecular Mass | 419.242 |
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| SMILES | CC(C)CC(N)C(O)=NC(CC(C)C)C(O)=NC(CC(=O)c1ccccc1)C(=O)O |
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| InChI Key | JZIYEUZGYUWYRY-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 | alpha amino acidsaryl alkyl ketonesbenzoyl derivativesbutyrophenonescarboximidic acidscarboxylic acidsgamma-keto acids and derivativeshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compounds |
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| Substituents | carboximidic acidmonocyclic benzene moietycarboxylic acidaryl alkyl ketonebenzoylalpha-amino acid or derivativescarboxylic acid derivativepropargyl-type 1,3-dipolar organic compoundorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganic 1,3-dipolar compoundgamma-keto acidbutyrophenonearomatic homomonocyclic compoundmonocarboxylic acid or derivativesketo acidhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundalkyl-phenylketone |
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