| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:44:46 UTC |
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| Update Date | 2025-03-25 00:48:10 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02166524 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H21N3O7 |
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| Molecular Mass | 379.138 |
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| SMILES | CC(=O)Nc1cccc(C(=O)CC(NC(=O)CCC(N)C(=O)O)C(=O)O)c1 |
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| InChI Key | JOUYKWSSIUUWOU-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 | acetamidesacetanilidesalkyl-phenylketonesalpha amino acidsaryl alkyl ketonesbenzoyl derivativesbutyrophenonescarboxylic acidsdicarboxylic acids and derivativesgamma-keto acids and derivativesglutamine and derivativeshydrocarbon derivativesmonoalkylaminesn-acetylarylaminesn-acyl aminesn-acyl-alpha amino acidsorganic oxidesorganopnictogen compoundssecondary carboxylic acid amides |
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| Substituents | fatty acylmonocyclic benzene moietycarbonyl groupcarboxylic acidaryl alkyl ketoneglutamine or derivativesn-acetylarylaminefatty amidebenzoyln-arylamidealpha-amino acid or derivativesketoneorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundacetamiden-acyl-alpha amino acid or derivativesn-acyl-alpha-amino acidacetanilidecarboxamide groupn-acyl-aminephenylketonegamma-keto acidbutyrophenonearomatic homomonocyclic compoundalpha-dipeptideanilidesecondary carboxylic acid amideorganic oxygen compoundketo aciddicarboxylic acid or derivativeshydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundalkyl-phenylketoneorganooxygen compoundaryl ketone |
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