| Record Information |
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| HMDB Status | expected |
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| Creation Date | 2024-02-20 23:36:58 UTC |
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| Update Date | 2025-03-21 17:57:31 UTC |
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| HMDB ID | HMDB0034244 |
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| Metabolite Identification |
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| DeepMet ID | DMID00008384 |
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| Name | Isoquinoline |
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| Frequency | 584.7 |
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| Structure | |
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| Chemical Formula | C9H7N |
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| Molecular Mass | 129.0578 |
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| SMILES | c1ccc2cnccc2c1 |
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| InChI Key | AWJUIBRHMBBTKR-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 | azacyclic compoundsbenzenoidsheteroaromatic compoundshydrocarbon derivativesorganonitrogen compoundsorganopnictogen compoundspolyhalopyridinespyridines and derivatives |
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| Substituents | azacyclepolyhalopyridineheteroaromatic compoundpyridinearomatic heteropolycyclic compoundorganonitrogen compoundisoquinolineorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compound |
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