| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:15:51 UTC |
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| Update Date | 2025-03-21 18:34:18 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00100131 |
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| Frequency | 27.4 |
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| Structure | |
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| Chemical Formula | C16H16N4O5 |
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| Molecular Mass | 344.1121 |
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| SMILES | O=C1CC(C(=O)NC(Cc2c[nH]c3ccccc23)C(=O)O)NC(=O)N1 |
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| InChI Key | WXHXYTYSEHNHJP-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 acidsdiazinanesdicarboximidesheteroaromatic compoundshydrocarbon derivativesindolesmonocarboxylic acids and derivativesn-acyl ureasn-acyl-alpha amino acidsorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyrimidonespyrrolessecondary carboxylic acid amides |
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| Substituents | carbonyl groupcarboxylic acidindolepyrimidonealpha-amino acid or derivativespyrimidine1,3-diazinaneorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundalpha-amino acidorganopnictogen compounddicarboximideureideorganoheterocyclic compoundn-acyl-alpha amino acid or derivativesn-acyl ureacarbonic acid derivativealpha-amino acid amideazacyclen-acyl-alpha-amino acidheteroaromatic compoundindole or derivativescarboxamide groupalpha-dipeptidesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundpyrrolehydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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