| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:58:20 UTC |
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| Update Date | 2025-03-21 18:05:40 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00058203 |
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| Frequency | 54.3 |
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| Structure | |
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| Chemical Formula | C21H22N2O2 |
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| Molecular Mass | 334.1681 |
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| SMILES | CCOC(=O)N1CCC(=C2c3ccccc3Cc3cccnc32)CC1 |
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| InChI Key | AUMJPWJMQFECJS-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 | benzoquinolines |
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| Direct Parent | benzoquinolines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 2-halopyridinesazacyclic compoundscarbamate esterscarbonyl compoundsheteroaromatic compoundshydrocarbon derivativesmethylpyridinesnaphthalenesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspiperidinecarboxylic acidspiperidinespolyhalopyridines |
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| Substituents | carbonyl grouppolyhalopyridineorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundpiperidinecarboxylic acid2-halopyridinepiperidinecarbonic acid derivativeazacycleheteroaromatic compoundcarbamic acid estermethylpyridinebenzoquinolinepyridinenaphthaleneorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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