| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:10:17 UTC |
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| Update Date | 2025-03-21 18:31:37 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00086780 |
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| Frequency | 32.8 |
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| Structure | |
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| Chemical Formula | C12H12N2O2 |
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| Molecular Mass | 216.0899 |
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| SMILES | COc1ccc2nccc(NC(C)=O)c2c1 |
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| InChI Key | ZXQKFDSHOBFZLS-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-halopyridinesacetamidesalkyl aryl ethersanisolesazacyclic compoundscarbonyl compoundscarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesmethylpyridinesn-acetylarylaminesorganic oxidesorganopnictogen compoundspolyhalopyridinessecondary carboxylic acid amides |
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| Substituents | phenol ethercarbonyl groupethern-acetylarylaminepolyhalopyridinen-arylamidealkyl aryl ethercarboxylic acid derivativeorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundquinolineorganopnictogen compound2-halopyridineacetamideazacycleheteroaromatic compoundmethylpyridinecarboxamide groupsecondary carboxylic acid amidepyridineorganic oxygen compoundanisolehydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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