| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:44:18 UTC |
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| Update Date | 2025-03-21 18:00:05 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00025006 |
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| Frequency | 154.9 |
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| Structure | |
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| Chemical Formula | C15H20N2O5 |
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| Molecular Mass | 308.1372 |
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| SMILES | NC(Cc1ccccc1)C(=O)NC(CCCC(=O)O)C(=O)O |
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| InChI Key | JSFCPOIJIFVCBP-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 | dipeptides |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alpha amino acid amidesalpha amino acidsamino fatty acidsamphetamines and derivativesbenzene and substituted derivativescarbocyclic fatty acidscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesfatty amideshydrocarbon derivativesmedium-chain fatty acidsmonoalkylaminesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenylalanine and derivativessecondary carboxylic acid amides |
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| Substituents | fatty acylcarbocyclic fatty acidmonocyclic benzene moietycarbonyl groupcarboxylic acidfatty amidefatty acidalpha-amino acid or derivativesorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundmedium-chain fatty acidamphetamine or derivativesn-acyl-alpha amino acid or derivativesalpha-amino acid amiden-acyl-alpha-amino acidcarboxamide groupamino fatty acidaromatic homomonocyclic compoundalpha-dipeptidesecondary carboxylic acid amidephenylalanine or derivativesorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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