| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:52:24 UTC |
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| Update Date | 2025-03-21 18:03:27 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00044324 |
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| Frequency | 76.4 |
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| Structure | |
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| Chemical Formula | C12H18N4O |
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| Molecular Mass | 234.1481 |
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| SMILES | O=C1NC(Cc2cnc[nH]2)CN2CCCCC12 |
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| InChI Key | NAMBLXPGRFNYGT-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 acid amides |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alpha amino acidsazacyclic compoundscarbonyl compoundscarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesimidazoleslactamsn-alkylpiperazinesorganic oxidesorganopnictogen compoundspiperazinopiperidinespiperidinessecondary carboxylic acid amidestrialkylamines |
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| Substituents | carbonyl grouplactamorganic oxidepiperazinearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundalpha-amino acidorganopnictogen compoundpiperidinepiperazino-1,2-a-piperidinetertiary amineorganoheterocyclic compoundazolealpha-amino acid amideazacyclen-alkylpiperazineheteroaromatic compoundtertiary aliphatic aminecarboxamide groupsecondary carboxylic acid amideorganic oxygen compound1,4-diazinanehydrocarbon derivativeorganic nitrogen compoundamineorganooxygen compound |
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