| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:56:03 UTC |
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| Update Date | 2025-03-21 18:04:48 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00052896 |
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| Frequency | 61.4 |
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| Structure | |
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| Chemical Formula | C14H20N2O4 |
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| Molecular Mass | 280.1423 |
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| SMILES | COC(=O)C(NC(=O)C(N)Cc1ccccc1)C(C)O |
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| InChI Key | ZYBMPEOROPHSPF-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 derivativesbeta hydroxy acids and 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 peptidebeta-hydroxy acidorganic oxidemethyl esterorganonitrogen compoundalpha-amino acidorganopnictogen compoundamphetamine or derivativesn-acyl-alpha amino acid or derivativesalcoholalpha-amino acid amidealpha-amino acid estern-acyl-alpha-amino acidhydroxy 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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