| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:22:18 UTC |
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| Update Date | 2025-03-25 01:01:53 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02252363 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H10N2 |
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| Molecular Mass | 194.0844 |
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| SMILES | Nc1cc2ccccc2c2ccncc12 |
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| InChI Key | YBXDWYJYUYPXBZ-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 compoundsheteroaromatic compoundshydrocarbon derivativesnaphthalenesorganopnictogen compoundspolyhalopyridinesprimary aminespyridines and derivatives |
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| Substituents | azacyclepolyhalopyridineheteroaromatic compoundpyridinenaphthalenearomatic heteropolycyclic compoundorganonitrogen compoundisoquinolineorganopnictogen compoundhydrocarbon derivativebenzenoidprimary amineorganic nitrogen compoundamine |
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