| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:46:46 UTC |
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| Update Date | 2025-03-25 00:48:56 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02171050 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H22N2O4 |
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| Molecular Mass | 294.158 |
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| SMILES | COC(=O)C(CC(C)O)NC(=O)C(N)Cc1ccccc1 |
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| InChI Key | KDYTWNGBNUHHDG-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 derivativesbenzene and substituted derivativescarbonyl compoundsfatty acid estersfatty amideshydrocarbon derivativesmethyl estersmonoalkylaminesmonocarboxylic acids and derivativesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenylalanine and derivativessecondary alcoholssecondary carboxylic acid amides |
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| Substituents | fatty acylmonocyclic benzene moietycarbonyl groupfatty amidealpha-amino acid or derivativesalpha peptideorganic oxidemethyl esterorganonitrogen compoundalpha-amino acidorganopnictogen compoundamphetamine or derivativesn-acyl-alpha amino acid or derivativesalcoholalpha-amino acid amidealpha-amino acid estern-acyl-alpha-amino acidcarboxamide grouparomatic homomonocyclic compoundsecondary carboxylic acid amidefatty acid estermonocarboxylic acid or derivativesphenylalanine or derivativesorganic oxygen compoundcarboxylic acid estersecondary alcoholhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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