| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:22:50 UTC |
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| Update Date | 2025-03-25 01:02:04 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02253538 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H11N7O2 |
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| Molecular Mass | 237.0974 |
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| SMILES | Nc1nc(=O)c2c([nH]1)NC1NC(=O)NC1CN2 |
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| InChI Key | RHPMRLHUZKPDKM-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 compoundscarbonyl compoundsheteroaromatic compoundshydrocarbon derivativesimidazodiazepinesimidazolidinonesorganic carbonic acids and derivativesorganic oxidesorganopnictogen compoundsprimary aminespyrimidonessecondary alkylarylaminesvinylogous amides |
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| Substituents | imidazolidinecarbonyl grouppyrimidonepyrimidineimidazodiazepineimidazolidinoneorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundpyrimidodiazepinevinylogous amidecarbonic acid derivativeazacycleheteroaromatic compoundsecondary aminesecondary aliphatic/aromatic aminepara-diazepineorganic oxygen compoundhydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compound |
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