| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:49:57 UTC |
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| Update Date | 2025-03-25 00:50:03 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02178436 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H15N3O |
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| Molecular Mass | 277.1215 |
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| SMILES | Cc1cccc2c(Nc3ccccc3)c(C(N)=O)cnc12 |
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| InChI Key | PIGMKNJRUYLRKA-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-3-carboxamides |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 2-halopyridinesamino acids and derivativesazacyclic compoundsbenzene and substituted derivativescarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesmethylpyridinesorganic oxidesorganooxygen compoundsorganopnictogen compoundspolyhalopyridinesprimary carboxylic acid amidespyridinecarboxylic acids and derivativesquinolines and derivativessecondary aminesvinylogous amides |
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| Substituents | primary carboxylic acid amidepyridine carboxylic acid or derivativesmonocyclic benzene moietyamino acid or derivativespolyhalopyridinecarboxylic acid derivativeorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compound2-halopyridinevinylogous amideazacycleheteroaromatic compoundmethylpyridinesecondary aminecarboxamide grouppyridineorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundaminequinoline-3-carboxamide |
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