| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:34:40 UTC |
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| Update Date | 2025-03-21 17:56:42 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00003039 |
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| Frequency | 2021.0 |
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| Structure | |
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| Chemical Formula | C16H17N3O4 |
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| Molecular Mass | 315.1219 |
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| SMILES | O=C1CCC(C(=O)NC(Cc2c[nH]c3ccccc23)C(=O)O)N1 |
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| InChI Key | QMMASWWWQRGQQC-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 heteropolycyclic compounds |
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| Alternative Parents | alpha amino acid amidesalpha amino acidsazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesindoleslactamsmonocarboxylic acids and derivativesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsproline and derivativespyrrolespyrrolidine-2-onespyrrolidinecarboxamidessecondary carboxylic acid amides |
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| Substituents | 2-pyrrolidonecarbonyl grouplactamcarboxylic acidindolealpha-amino acid or derivativesorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundpyrrolidinepyrrolidoneorganoheterocyclic compoundn-acyl-alpha amino acid or derivativesproline or derivativesalpha-amino acid amideazacyclen-acyl-alpha-amino acidheteroaromatic compoundindole or derivativescarboxamide groupalpha-dipeptidesecondary carboxylic acid amidemonocarboxylic acid or derivativespyrrolidine carboxylic acid or derivativesorganic oxygen compoundpyrrolehydrocarbon derivativebenzenoidorganic nitrogen compoundpyrrolidine-2-carboxamideorganooxygen compound |
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