| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:58:00 UTC |
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| Update Date | 2025-03-21 18:05:31 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00057417 |
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| Frequency | 72.3 |
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| Structure | |
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| Chemical Formula | C13H20N6O4 |
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| Molecular Mass | 324.1546 |
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| SMILES | CC(=O)OC1CNc2[nH]c(N)nc(=O)c2N(CCN(C)C)C1=O |
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| InChI Key | WCGAEYUWCWANHH-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 | pyrimidodiazepines |
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| Subclass | pyrimidodiazepines |
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| Direct Parent | pyrimidodiazepines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1,4-diazepinesazacyclic compoundsbeta amino acids and derivativescarbonyl compoundscarboxylic acid estersheteroaromatic compoundshydrocarbon derivativeslactamsmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsprimary aminespyrimidonessecondary alkylarylaminestertiary carboxylic acid amidestrialkylaminesvinylogous amides |
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| Substituents | carbonyl grouplactamamino acid or derivativespyrimidonecarboxylic acid derivativepyrimidineorganic oxidearomatic heteropolycyclic compoundtertiary carboxylic acid amideorganonitrogen compoundorganopnictogen compoundpyrimidodiazepinetertiary aminevinylogous amideazacycleheteroaromatic compoundtertiary aliphatic aminesecondary aminecarboxamide groupbeta amino acid or derivativessecondary aliphatic/aromatic aminemonocarboxylic acid or derivativespara-diazepineorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compound |
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