| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:26:23 UTC |
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| Update Date | 2025-03-21 18:39:25 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00125544 |
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| Frequency | 20.4 |
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| Structure | |
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| Chemical Formula | C15H22N2O3 |
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| Molecular Mass | 278.163 |
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| SMILES | CC(C)CC(=NC(O)C(=O)O)C(N)Cc1ccccc1 |
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| InChI Key | DBUXEPXEKFEFPE-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 | alkanolaminesalpha amino acidsalpha hydroxy acids and derivativesbenzene and substituted derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundssecondary ketimines |
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| Substituents | ketiminecarbonyl groupcarboxylic acidiminealpha-hydroxy acidalpha-amino acid or derivativescarboxylic acid derivativepropargyl-type 1,3-dipolar organic compoundsecondary ketimineorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundamphetamine or derivativesalkanolamineorganic 1,3-dipolar compoundhydroxy acidaromatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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