| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:50:53 UTC |
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| Update Date | 2025-03-21 18:02:50 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00040621 |
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| Frequency | 85.0 |
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| Structure | |
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| Chemical Formula | C14H18N2O5 |
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| Molecular Mass | 294.1216 |
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| SMILES | COC(=O)C(CC(=O)O)NC(=O)C(N)Cc1ccccc1 |
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| InChI Key | SPEZLNDWFXAYET-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 | peptides |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alpha amino acid amidesalpha amino acid estersalpha amino acidsamphetamines and derivativesaspartic acid and derivativesbenzene and substituted derivativescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesfatty acid estersfatty amideshydrocarbon derivativesmethyl estersmonoalkylaminesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenylalanine and derivativessecondary carboxylic acid amides |
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| Substituents | fatty acylmonocyclic benzene moietycarbonyl groupcarboxylic acidfatty amidealpha-amino acid or derivativesalpha peptideorganic oxidemethyl esterorganonitrogen compoundalpha-amino acidorganopnictogen compoundamphetamine or derivativesn-acyl-alpha amino acid or derivativesalpha-amino acid amidealpha-amino acid estern-acyl-alpha-amino acidcarboxamide grouparomatic homomonocyclic compoundsecondary carboxylic acid amidefatty acid esterphenylalanine or derivativesorganic oxygen compoundcarboxylic acid esteraspartic acid or derivativesdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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