| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:15:55 UTC |
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| Update Date | 2025-03-25 00:59:31 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02237637 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H9N5O |
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| Molecular Mass | 239.0807 |
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| SMILES | Nc1nc2nc[nH]c2c(=O)nc1-c1ccccc1 |
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| InChI Key | NJEAYGQPYCCHRP-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 | diazepines |
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| Subclass | 1,4-diazepines |
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| Direct Parent | 1,4-diazepines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | azacyclic compoundsbenzene and substituted derivativesheteroaromatic compoundshydrocarbon derivativesimidazolesimidolactamsorganic oxidesorganooxygen compoundsorganopnictogen compoundsprimary amines |
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| Substituents | monocyclic benzene moietyazacycleheteroaromatic compoundorganic oxidepara-diazepineorganic oxygen compoundaromatic heteropolycyclic compoundimidazoleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidprimary amineorganic nitrogen compoundimidolactamamineorganooxygen compoundazole |
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