| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:20:44 UTC |
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| Update Date | 2025-03-21 18:36:43 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00112127 |
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| Frequency | 40.9 |
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| Structure | |
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| Chemical Formula | C6H5N5O2 |
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| Molecular Mass | 179.0443 |
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| SMILES | Nc1nc(=O)c2[nH]cnc2[nH]c1=O |
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| InChI Key | KPDRENHBMIVLGD-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 compoundsheteroaromatic compoundshydrocarbon derivativesimidazolesimidolactamslactamsorganic oxidesorganooxygen compoundsorganopnictogen compoundsprimary aminesvinylogous amides |
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| Substituents | vinylogous amidelactamazacycleheteroaromatic compoundorganic oxidepara-diazepineorganic oxygen compoundaromatic heteropolycyclic compoundimidazoleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeprimary amineorganic nitrogen compoundimidolactamamineorganooxygen compoundazole |
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