| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:46:56 UTC |
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| Update Date | 2025-03-25 00:49:01 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02171446 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H23NO3 |
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| Molecular Mass | 289.1678 |
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| SMILES | CC(=O)NC(CCCCC(C)=Cc1ccccc1)C(=O)O |
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| InChI Key | PGPWZOUFNMVVRL-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 | n-acyl-alpha amino acids |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | acetamidesalpha amino acidsamino fatty acidsbenzene and substituted derivativesbranched fatty acidscarbocyclic fatty acidscarbonyl compoundscarboxylic acidsfatty acylshydrocarbon derivativesmedium-chain fatty acidsmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amides |
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| Substituents | fatty acylcarbocyclic fatty acidmonocyclic benzene moietycarbonyl groupcarboxylic acidorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acidacetamiden-acyl-alpha-amino acidcarboxamide groupamino fatty acidbranched fatty acidaromatic homomonocyclic compoundsecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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