| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:58:42 UTC |
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| Update Date | 2025-03-25 00:53:09 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02198249 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H23NO2 |
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| Molecular Mass | 261.1729 |
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| SMILES | CCCCC(CC(=O)O)=NC(C)Cc1ccccc1 |
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| InChI Key | XLWPNMZBWCIZED-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 | amino fatty acidscarbocyclic fatty acidscarbonyl compoundscarboxylic acidshydrocarbon derivativesmedium-chain fatty acidsmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsphenylpropanespropargyl-type 1,3-dipolar organic compoundssecondary ketimines |
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| Substituents | fatty acylcarbocyclic fatty acidketiminecarbonyl groupcarboxylic acidiminefatty acidcarboxylic acid derivativepropargyl-type 1,3-dipolar organic compoundphenylpropanesecondary ketimineorganic oxideorganonitrogen compoundorganopnictogen compoundmedium-chain fatty acidamphetamine or derivativesorganic 1,3-dipolar compoundamino fatty acidaromatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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