| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 13:09:36 UTC |
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| Update Date | 2025-03-24 21:56:59 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01942185 |
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| Frequency | 0.6 |
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| Structure | |
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| Chemical Formula | C8H7N3 |
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| Molecular Mass | 145.064 |
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| SMILES | N#Cc1ccc2c(c1)NCN2 |
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| InChI Key | GLDSYVDPXMGHLU-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 compoundsbenzenoidshydrocarbon derivativesnitrilesorganopnictogen compoundssecondary alkylarylamines |
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| Substituents | nitrileazacyclesecondary aminesecondary aliphatic/aromatic aminearomatic heteropolycyclic compoundbenzimidazoleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundcarbonitrileamine |
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