| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:49:23 UTC |
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| Update Date | 2025-03-25 00:49:51 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02177099 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H23N2O4+ |
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| Molecular Mass | 307.1652 |
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| SMILES | CC(C(=O)NC(CC(=O)c1ccccc1)C(=O)O)[N+](C)(C)C |
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| InChI Key | PPMRCZPWEBWZHV-UHFFFAOYSA-O |
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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 acidsaminesaryl alkyl ketonesbenzoyl derivativesbutyrophenonescarboxylic acidsgamma-keto acids and derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesn-acyl-alpha amino acidsorganic cationsorganic oxidesorganic saltsorganopnictogen compoundssecondary carboxylic acid amidestetraalkylammonium salts |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidaryl alkyl ketonebenzoylalpha-amino acid or derivativesketoneorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganic cationorganic saltn-acyl-alpha amino acid or derivativesalpha-amino acid amidetetraalkylammonium saltn-acyl-alpha-amino acidquaternary ammonium saltcarboxamide groupphenylketonegamma-keto acidbutyrophenonearomatic homomonocyclic compoundalpha-dipeptidesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundketo acidalanine or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundaminealkyl-phenylketoneorganooxygen compoundaryl ketone |
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