| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:45:47 UTC |
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| Update Date | 2025-03-21 18:50:05 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00171174 |
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| Frequency | 36.0 |
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| Structure | |
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| Chemical Formula | C8H5N3O |
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| Molecular Mass | 159.0433 |
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| SMILES | N#Cc1ccc2[nH]c(=O)[nH]c2c1 |
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| InChI Key | HMERLJKYKSAIMU-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 | benzimidazoles |
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| Subclass | benzimidazoles |
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| Direct Parent | benzimidazoles |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | azacyclic compoundsbenzenoidsheteroaromatic compoundshydrocarbon derivativesimidazolesnitrilesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compounds |
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| Substituents | carbonic acid derivativenitrileazacycleheteroaromatic compoundorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundbenzimidazoleimidazoleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundcarbonitrileorganooxygen compoundazole |
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