| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:19:53 UTC |
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| Update Date | 2025-03-25 01:01:05 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02246867 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H22N2O2 |
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| Molecular Mass | 262.1681 |
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| SMILES | CCC(=NCCCCC(N)C(=O)O)c1ccccc1 |
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| InChI Key | FHNKFHAGYCWQAS-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | amino acids, peptides, and analogues |
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| Direct Parent | alpha amino acids |
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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 acidsmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsphenylpropanespropargyl-type 1,3-dipolar organic compoundssecondary ketimines |
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| Substituents | fatty acylcarbocyclic fatty acidketiminemonocyclic benzene moietycarbonyl groupcarboxylic acidiminefatty acidpropargyl-type 1,3-dipolar organic compoundphenylpropanesecondary ketimineorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acidorganic 1,3-dipolar compoundamino fatty acidaromatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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