| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:20:34 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 | DMID02248398 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C9H7N3O |
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| Molecular Mass | 173.0589 |
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| SMILES | Cn1c(=O)[nH]c2c(C#N)cccc21 |
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| InChI Key | VNOFRQZGPOCNBV-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 derivativesimidazolesn-substituted imidazolesnitrilesorganic 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 compoundazolen-substituted imidazole |
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