| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:08:39 UTC |
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| Update Date | 2025-03-25 00:56:53 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02221363 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H16N2O2 |
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| Molecular Mass | 256.1212 |
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| SMILES | O=C(O)C1CCN(c2ccnc3ccccc23)CC1 |
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| InChI Key | HXNHFFHNRLQWSO-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 | aminoquinolines and derivatives |
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| Direct Parent | 4-aminoquinolines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 2-halopyridinesamino acidsaminopyridines and derivativesazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidsdialkylarylaminesheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundspiperidinecarboxylic acidspiperidinespolyhalopyridines |
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| Substituents | carbonyl groupcarboxylic acidamino acid or derivativesamino acidpolyhalopyridinecarboxylic acid derivativeorganic oxidearomatic heteropolycyclic compoundtertiary aliphatic/aromatic amineorganonitrogen compoundorganopnictogen compoundpiperidinecarboxylic acid2-halopyridinedialkylarylaminepiperidineaminopyridinetertiary amine4-aminoquinolineazacycleheteroaromatic compoundhydroxypyridinemonocarboxylic acid or derivativespyridineorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compound |
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