| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:39:37 UTC |
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| Update Date | 2025-03-25 00:46:23 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02154949 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H8N2O |
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| Molecular Mass | 184.0637 |
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| SMILES | Cc1cc2ccc(C#N)cc2[nH]c1=O |
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| InChI Key | NFGXGYQPQHKANC-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 | quinolines and derivatives |
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| Subclass | quinolones and derivatives |
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| Direct Parent | hydroquinolones |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 2-halopyridinesazacyclic compoundsbenzenoidsheteroaromatic compoundshydrocarbon derivativeshydroquinolineslactamsnitrilesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspolyhalopyridinespyridines and derivativespyridinones |
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| Substituents | nitrilelactamazacyclepolyhalopyridineheteroaromatic compounddihydroquinolineorganic oxidedihydroquinolonepyridineorganic oxygen compoundaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoid2-halopyridineorganic nitrogen compoundpyridinonecarbonitrileorganooxygen compound |
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