| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:52:13 UTC |
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| Update Date | 2025-03-21 18:03:22 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00043864 |
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| Frequency | 77.3 |
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| Structure | |
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| Chemical Formula | C18H21N3O4 |
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| Molecular Mass | 343.1532 |
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| SMILES | CC(=O)N1CCCC1C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)O |
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| InChI Key | XMFYLDNLMPMTLU-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 | acetamidesalpha amino acid amidesalpha amino acidsazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesindolesmonocarboxylic acids and derivativesn-acyl-alpha amino acidsn-acylpyrrolidinesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsproline and derivativespyrrolespyrrolidinecarboxamidessecondary carboxylic acid amidestertiary carboxylic acid amides |
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| Substituents | carbonyl groupcarboxylic acidindolen-acylpyrrolidinealpha-amino acid or derivativesorganic oxidearomatic heteropolycyclic compoundtertiary carboxylic acid amideorganonitrogen compoundalpha-amino acidorganopnictogen compoundpyrrolidineorganoheterocyclic compoundacetamiden-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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