| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:16:31 UTC |
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| Update Date | 2025-03-25 00:59:44 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02238979 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H12N2O |
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| Molecular Mass | 248.095 |
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| SMILES | NC(=O)c1cccc2c(-c3ccccc3)ccnc12 |
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| InChI Key | UQQCCKWDVVIXHE-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 | phenylquinolines |
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| Direct Parent | phenylquinolines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 2-halopyridinesazacyclic compoundsbenzene and substituted derivativescarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspolyhalopyridinesprimary carboxylic acid amidespyridines and derivativesquinoline carboxamides |
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| Substituents | primary carboxylic acid amidemonocyclic benzene moietyphenylquinolineazacyclepolyhalopyridineheteroaromatic compoundquinoline-8-carboxamidecarboxamide groupcarboxylic acid derivativeorganic oxidepyridineorganic oxygen compoundaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoid2-halopyridineorganic nitrogen compoundorganooxygen compound |
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