| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:20:33 UTC |
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| Update Date | 2025-03-25 01:01:18 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02248375 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H6N6O2 |
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| Molecular Mass | 218.0552 |
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| SMILES | Cn1c(=O)[nH]c2nc3nc[nH]c3c(=O)nc21 |
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| InChI Key | YVIHAYCRBPLRHI-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 derivativesimidazolesn-substituted imidazolesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compounds |
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| Substituents | carbonic acid derivativeazacycleheteroaromatic compoundorganic oxidepara-diazepineorganic oxygen compoundaromatic heteropolycyclic compoundimidazoleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundazolen-substituted imidazole |
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