| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:19:02 UTC |
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| Update Date | 2025-03-21 18:35:55 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00107993 |
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| Frequency | 24.9 |
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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=C1C(Cc2cnc[nH]2)NCC2CCCCN12 |
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| InChI Key | SPHQJFXYEXRMDN-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | piperazinopiperidines |
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| Subclass | piperazinopiperidines |
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| Direct Parent | piperazinopiperidines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alpha amino acidsazacyclic compoundscarbonyl compoundscarboxylic acids and derivativesdialkylaminesheteroaromatic compoundshydrocarbon derivativesimidazoleslactamsn-alkylpiperazinesorganic oxidesorganopnictogen compoundspiperidinestertiary carboxylic acid amides |
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| Substituents | carbonyl grouplactamamino acid or derivativesalpha-amino acid or derivativescarboxylic acid derivativeorganic oxidepiperazinearomatic heteropolycyclic compoundimidazoletertiary carboxylic acid amideorganonitrogen compoundalpha-amino acidorganopnictogen compoundpiperidinepiperazino-1,2-a-piperidineazolesecondary aliphatic amineazacyclen-alkylpiperazineheteroaromatic compoundsecondary aminecarboxamide grouporganic oxygen compound1,4-diazinanehydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
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