| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:52:16 UTC |
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| Update Date | 2025-03-25 00:50:53 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02183642 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H7NO |
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| Molecular Mass | 169.0528 |
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| SMILES | O=C1Cc2cccc3cncc1c23 |
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| InChI Key | GIINITMESNSGNG-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 | aryl alkyl ketonesazacyclic compoundsbenzenoidsheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspolyhalopyridinespyridines and derivatives |
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| Substituents | aryl alkyl ketoneazacyclepolyhalopyridineheteroaromatic compoundketoneorganic oxidepyridineorganic oxygen compoundaromatic heteropolycyclic compoundorganonitrogen compoundisoquinolineorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundaryl ketone |
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