| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:49:41 UTC |
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| Update Date | 2025-03-25 00:49:57 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02177837 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H22N2O5 |
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| Molecular Mass | 322.1529 |
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| SMILES | Cc1ccc(C)c(CC(NC(=O)C(N)CCC(=O)O)C(=O)O)c1 |
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| InChI Key | VDOHYTLIJQTIEM-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 acidsamphetamines and derivativescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesglutamic acid and derivativeshydrocarbon derivativesmonoalkylaminesn-acyl aminesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenylalanine and derivativesphenylpropanoic acidssecondary carboxylic acid amidesp-xylenes |
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| Substituents | fatty acylmonocyclic benzene moietycarbonyl groupcarboxylic acid3-phenylpropanoic-acidfatty amidealpha-amino acid or derivativesxyleneorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundamphetamine or derivativesn-acyl-alpha amino acid or derivativesalpha-amino acid amiden-acyl-alpha-amino acidglutamic acid or derivativescarboxamide groupn-acyl-aminearomatic homomonocyclic compoundalpha-dipeptidesecondary carboxylic acid amidep-xylenephenylalanine or derivativesorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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