| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:39:55 UTC |
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| Update Date | 2025-03-25 00:46:30 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02155648 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H13N |
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| Molecular Mass | 207.1048 |
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| SMILES | Cc1cccc2c1cc(C)c1ccncc12 |
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| InChI Key | PYFVGYISVQCGAK-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 derivativesmethylpyridinesnaphthalenesorganonitrogen compoundsorganopnictogen compoundspolyhalopyridines |
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| Substituents | azacyclepolyhalopyridineheteroaromatic compoundmethylpyridinepyridinenaphthalenearomatic heteropolycyclic compoundorganonitrogen compoundisoquinolineorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compound |
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