| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:41:24 UTC |
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| Update Date | 2025-03-25 00:47:01 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02158873 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H16N3+ |
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| Molecular Mass | 262.1339 |
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| SMILES | c1ccc2c(CC[n+]3c[nH]c4ccccc43)c[nH]c2c1 |
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| InChI Key | KNTDRSSKBUBNHZ-UHFFFAOYSA-O |
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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 derivativesimidazolesindolesn-substituted imidazolesorganic cationsorganonitrogen compoundsorganopnictogen compoundspyrroles |
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| Substituents | azacycleindoleheteroaromatic compoundindole or derivativesaromatic heteropolycyclic compoundbenzimidazoleimidazolepyrroleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganic cationazolen-substituted imidazole |
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