| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:55:28 UTC |
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| Update Date | 2025-03-21 18:04:35 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00051578 |
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| Frequency | 75.2 |
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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 | NCCCCC(NC(=O)c1ccccc1)C(=O)O |
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| InChI Key | IYHOIXNPULYXFO-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 | benzoic acids and derivatives |
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| Direct Parent | hippuric acids and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alpha amino acidsamino fatty acidsbenzoyl derivativescarbocyclic fatty acidscarbonyl compoundscarboxylic acidshydrocarbon derivativesmedium-chain fatty acidsmonoalkylaminesmonocarboxylic acids and derivativesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amides |
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| Substituents | fatty acylcarbocyclic fatty acidcarbonyl groupcarboxylic acidbenzoylfatty acidalpha-amino acid or derivativescarboxylic acid derivativeorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acidn-acyl-alpha amino acid or derivativesn-acyl-alpha-amino acidhippuric acid or derivativescarboxamide groupamino fatty acidaromatic homomonocyclic compoundsecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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