| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:27:40 UTC |
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| Update Date | 2025-03-21 18:40:08 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00128677 |
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| Frequency | 19.8 |
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| Structure | |
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| Chemical Formula | C12H10N2 |
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| Molecular Mass | 182.0844 |
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| SMILES | Cc1nccc2c1ccc1[nH]ccc12 |
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| InChI Key | JGAGQXOMEBXDES-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 derivativesindolesorganonitrogen compoundsorganopnictogen compoundspolyhalopyridinespyridines and derivativespyrroles |
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| Substituents | azacycleindolepolyhalopyridineheteroaromatic compoundindole or derivativespyridinearomatic heteropolycyclic compoundpyrroleorganonitrogen compoundisoquinolineorganopnictogen compoundhydrocarbon derivativebenzenoid2-halopyridineorganic nitrogen compound |
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