| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:45:24 UTC |
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| Update Date | 2025-03-21 18:00:28 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00027585 |
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| Frequency | 137.3 |
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| Structure | |
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| Chemical Formula | C13H18N2O3 |
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| Molecular Mass | 250.1317 |
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| SMILES | NC(CCCCNC(=O)c1ccccc1)C(=O)O |
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| InChI Key | KODLJWKGAKBGOB-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 acidsbenzamidesbenzoyl derivativescarbocyclic fatty acidscarbonyl compoundscarboxylic acidshydrocarbon derivativesmedium-chain fatty acidsmonoalkylaminesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amides |
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| Substituents | fatty acylcarbocyclic fatty acidmonocyclic benzene moietycarbonyl groupcarboxylic acidbenzoylfatty acidbenzamideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acidbenzoic acid or derivativescarboxamide groupamino fatty acidaromatic homomonocyclic compoundsecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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