| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:50:48 UTC |
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| Update Date | 2025-03-25 00:50:21 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02180345 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H20N2O7 |
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| Molecular Mass | 352.1271 |
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| SMILES | COc1ccc(C(=O)CC(NC(=O)CCC(N)C(=O)O)C(=O)O)cc1 |
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| InChI Key | MPBDGLGMYGFEMU-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 | alkyl aryl ethersalkyl-phenylketonesalpha amino acidsanisolesaryl alkyl ketonesbenzoyl derivativesbutyrophenonescarboxylic acidsdicarboxylic acids and derivativesgamma-keto acids and derivativesglutamine and derivativeshydrocarbon derivativesmethoxybenzenesmonoalkylaminesn-acyl aminesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenoxy compoundssecondary carboxylic acid amides |
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| Substituents | fatty acylphenol ethermonocyclic benzene moietycarbonyl groupethercarboxylic acidaryl alkyl ketoneglutamine or derivativesfatty amidebenzoylalpha-amino acid or derivativesalkyl aryl etherketoneorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundn-acyl-alpha amino acid or derivativesn-acyl-alpha-amino acidcarboxamide groupmethoxybenzenen-acyl-aminephenylketonegamma-keto acidbutyrophenonearomatic homomonocyclic compoundalpha-dipeptidesecondary carboxylic acid amideorganic oxygen compoundanisoleketo aciddicarboxylic acid or derivativeshydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundphenoxy compoundalkyl-phenylketoneorganooxygen compoundaryl ketone |
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