| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 08:42:46 UTC |
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| Update Date | 2025-03-25 00:23:26 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01306004 |
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| Frequency | 1.0 |
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| Structure | |
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| Chemical Formula | C6H7N3O |
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| Molecular Mass | 137.0589 |
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| SMILES | N#CC(O)Cn1ccnc1 |
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| InChI Key | KDVDUDKRZKJINN-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 | azoles |
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| Subclass | imidazoles |
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| Direct Parent | n-substituted imidazoles |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alpha-hydroxynitrilesazacyclic compoundscyanohydrinsheteroaromatic compoundshydrocarbon derivativesimidazolesorganonitrogen compoundsorganopnictogen compoundssecondary alcohols |
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| Substituents | alcoholnitrilearomatic heteromonocyclic compoundazacycleheteroaromatic compoundcyanohydrinorganic oxygen compoundalpha-hydroxynitrileorganonitrogen compoundsecondary alcoholorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundcarbonitrileorganooxygen compoundn-substituted imidazole |
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