| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:18:46 UTC |
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| Update Date | 2025-03-21 18:35:48 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00107336 |
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| Frequency | 25.0 |
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| Structure | |
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| Chemical Formula | C10H8N2O |
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| Molecular Mass | 172.0637 |
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| SMILES | NC(=O)c1ccnc2ccccc12 |
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| InChI Key | LEWDKQKVAFOMPI-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 | quinoline carboxamides |
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| Direct Parent | quinoline carboxamides |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 2-halopyridinesazacyclic compoundsbenzenoidscarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspolyhalopyridinesprimary carboxylic acid amidespyridinecarboxylic acids and derivatives |
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| Substituents | primary carboxylic acid amidepyridine carboxylic acid or derivativesazacyclepolyhalopyridineheteroaromatic compoundcarboxamide groupcarboxylic acid derivativeorganic oxidequinoline-4-carboxamidepyridineorganic oxygen compoundaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoid2-halopyridineorganic nitrogen compoundorganooxygen compound |
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