| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:31:18 UTC |
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| Update Date | 2025-03-21 18:41:58 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00137032 |
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| Frequency | 18.3 |
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| Structure | |
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| Chemical Formula | C11H16N4O |
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| Molecular Mass | 220.1324 |
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| SMILES | O=C1C(Cc2cnc[nH]2)NCC2CCCN12 |
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| InChI Key | NPIWCSYMWSRJHG-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 | azacyclic compoundscarbonyl compoundscarboxylic acids and derivativesdialkylaminesheteroaromatic compoundshydrocarbon derivativesimidazoleslactamsn-alkylpiperazinesorganic oxidesorganopnictogen compoundspyrrolidinestertiary carboxylic acid amides |
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| Substituents | carbonyl grouplactamorganic oxidepiperazinearomatic heteropolycyclic compoundimidazoletertiary carboxylic acid amideorganonitrogen compoundalpha-amino acidorganopnictogen compoundpyrrolidineorganoheterocyclic compoundazolesecondary aliphatic amineazacyclen-alkylpiperazineheteroaromatic compoundsecondary aminecarboxamide grouporganic oxygen compound1,4-diazinanehydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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