| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:59:39 UTC |
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| Update Date | 2025-03-25 00:53:34 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02200484 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H20N2O7 |
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| Molecular Mass | 364.1271 |
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| SMILES | COc1ccc(C=CC(=O)OCC(=O)NC(=O)CCC(N)C(=O)O)cc1 |
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| InChI Key | FEMHKRDWHZFRIH-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 | glutamine and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alkyl aryl ethersalpha amino acidsanisolescarbonyl compoundscarboxylic acidscinnamic acids and derivativesdicarboximidesdicarboxylic acids and derivativesenoate estersfatty acid estershydrocarbon derivativesmethoxybenzenesmonoalkylaminesn-acyl aminesn-unsubstituted carboxylic acid imidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenoxy compounds |
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| Substituents | fatty acylphenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidglutamine or derivativesalkyl aryl etheralpha,beta-unsaturated carboxylic estercinnamic acid or derivativescarboxylic acid imide, n-unsubstitutedorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compounddicarboximideenoate estermethoxybenzenen-acyl-aminecarboxylic acid imidearomatic homomonocyclic compoundfatty acid esterorganic oxygen compoundanisolecarboxylic acid esterdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundphenoxy compoundorganooxygen compound |
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