| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:38:45 UTC |
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| Update Date | 2025-03-25 00:46:02 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02152883 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H10N2O |
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| Molecular Mass | 186.0793 |
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| SMILES | NC(=O)Cc1ccc2ccccc2n1 |
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| InChI Key | WEHFQXPHQWWTGF-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 | quinolines and derivatives |
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| Direct Parent | quinolines and derivatives |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 2-halopyridinesazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspolyhalopyridinesprimary carboxylic acid amidespyridines and derivatives |
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| Substituents | primary carboxylic acid amidecarbonyl groupazacyclepolyhalopyridineheteroaromatic compoundcarboxamide groupcarboxylic acid derivativeorganic oxidepyridineorganic oxygen compoundaromatic heteropolycyclic compoundorganonitrogen compoundquinolineorganopnictogen compoundhydrocarbon derivativebenzenoid2-halopyridineorganic nitrogen compoundorganooxygen compound |
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