| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:43:32 UTC |
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| Update Date | 2025-03-21 17:59:47 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00023235 |
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| Frequency | 176.2 |
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| Structure | |
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| Chemical Formula | C13H18N4O2 |
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| Molecular Mass | 262.143 |
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| SMILES | O=C1NC(Cc2cnc[nH]2)C(=O)N2CCCCCC12 |
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| InChI Key | KEPUWMALSLOEHJ-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 | alpha amino acids |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 2,5-dioxopiperazinesazacyclic compoundsazepanescarbonyl compoundscarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesimidazoleslactamsn-alkylpiperazinesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidestertiary carboxylic acid amides |
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| Substituents | carbonyl grouplactam2,5-dioxopiperazineorganic oxidedioxopiperazinepiperazinearomatic heteropolycyclic compoundimidazoletertiary carboxylic acid amideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundazoleazacyclen-alkylpiperazineheteroaromatic compoundcarboxamide groupsecondary carboxylic acid amideazepaneorganic oxygen compound1,4-diazinanehydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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