| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:21:52 UTC |
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| Update Date | 2025-03-25 01:01:45 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02251409 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H12N+ |
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| Molecular Mass | 218.0964 |
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| SMILES | c1ccc2c(c1)C[n+]1cc3ccccc3cc1-2 |
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| InChI Key | CAYFMZLTGOESAC-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 | isoindoles and derivatives |
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| Subclass | pyridoisoindoles |
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| Direct Parent | pyridoisoindoles |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 2-halopyridinesazacyclic compoundsbenzenoidsheteroaromatic compoundshydrocarbon derivativesisoindolesisoquinolines and derivativesorganic cationsorganonitrogen compoundsorganopnictogen compoundspolyhalopyridinespyridines and derivatives |
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| Substituents | azacyclepolyhalopyridineisoindoleheteroaromatic compoundpyridoisoindolepyridinearomatic heteropolycyclic compoundorganonitrogen compoundisoquinolineorganopnictogen compoundhydrocarbon derivativebenzenoid2-halopyridineorganic nitrogen compoundorganic cation |
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