| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 06:30:50 UTC |
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| Update Date | 2025-03-24 17:51:05 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00988702 |
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| Frequency | 1.4 |
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| Structure | |
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| Chemical Formula | C9H6N2 |
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| Molecular Mass | 142.0531 |
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| SMILES | c1cc2c3c(nccc3c1)N2 |
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| InChI Key | UBXVROKRLOCKEV-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 | isoquinolines and derivatives |
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| Subclass | isoquinolines and derivatives |
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| Direct Parent | isoquinolines and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 2-halopyridinesazacyclic compoundsbenzenoidsheteroaromatic compoundshydrocarbon derivativesimidolactamsorganopnictogen compoundspolyhalopyridinespyridines and derivativessecondary amines |
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| Substituents | azacyclepolyhalopyridineheteroaromatic compoundsecondary aminepyridinearomatic heteropolycyclic compoundorganonitrogen compoundisoquinolineorganopnictogen compoundhydrocarbon derivativebenzenoid2-halopyridineorganic nitrogen compoundimidolactamamine |
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