| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:42:09 UTC |
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| Update Date | 2025-03-21 17:59:18 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00020102 |
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| Frequency | 202.2 |
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| Structure | |
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| Chemical Formula | C13H17N3O4 |
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| Molecular Mass | 279.1219 |
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| SMILES | CC(N)C(=O)NC(CC(=O)c1ccccc1N)C(=O)O |
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| InChI Key | UOGPNEZKVVQGLK-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 | alanine and derivativesalkyl-phenylketonesalpha amino acid amidesalpha amino acidsamino acidsaryl alkyl ketonesbenzoyl derivativesbutyrophenonescarboxylic acidsgamma-keto acids and derivativeshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesn-acyl-alpha amino acidsorganic oxidesorganopnictogen compoundssecondary carboxylic acid amidesvinylogous amides |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidaryl alkyl ketoneamino acid or derivativesamino acidbenzoylalpha-amino acid or derivativesketoneorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundn-acyl-alpha amino acid or derivativesvinylogous amidealpha-amino acid amiden-acyl-alpha-amino acidcarboxamide groupphenylketonegamma-keto acidbutyrophenonearomatic homomonocyclic compoundalpha-dipeptidesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundketo acidalanine or derivativeshydrocarbon derivativebenzenoidprimary aliphatic amineprimary amineorganic nitrogen compoundaminealkyl-phenylketoneorganooxygen compoundaryl ketone |
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