| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:26:55 UTC |
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| Update Date | 2025-03-21 18:39:41 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00126846 |
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| Frequency | 20.2 |
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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)CC(=O)N2CCCCC12 |
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| InChI Key | VPSHNVDTAQWXNW-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 | beta amino acids and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1,4-diazepanesalpha amino acidsazacyclic compoundscarbonyl compoundscarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesimidazoleslactamsorganic oxidesorganonitrogen compoundsorganopnictogen compoundspiperidinessecondary carboxylic acid amidestertiary carboxylic acid amides |
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| Substituents | carbonyl grouplactam1,4-diazepanediazepanealpha-amino acid or derivativesorganic oxidearomatic heteropolycyclic compoundimidazoletertiary carboxylic acid amideorganonitrogen compoundalpha-amino acidorganopnictogen compoundpiperidineorganoheterocyclic compoundazoleazacycleheteroaromatic compoundcarboxamide groupbeta amino acid or derivativessecondary carboxylic acid amideorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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