| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:26:01 UTC |
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| Update Date | 2025-03-21 18:39:14 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00124689 |
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| Frequency | 20.6 |
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| Structure | |
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| Chemical Formula | C12H8N2O |
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| Molecular Mass | 196.0637 |
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| SMILES | O=c1[nH]c2cnccc2c2ccccc12 |
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| InChI Key | RGJWBNVVXDVAMV-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 | isoquinolones and derivatives |
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| Direct Parent | isoquinolones and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 2-halopyridinesazacyclic compoundsbenzenoidsheteroaromatic compoundshydrocarbon derivativeslactamsnaphthyridinesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspolyhalopyridinespyridines and derivativespyridinones |
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| Substituents | naphthyridinelactamazacyclepolyhalopyridineheteroaromatic compoundorganic oxidepyridineorganic oxygen compounddiazanaphthalenearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundisoquinolonehydrocarbon derivativebenzenoid2-halopyridineorganic nitrogen compoundpyridinoneorganooxygen compound |
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