| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:36:01 UTC |
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| Update Date | 2025-03-21 17:57:11 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00006153 |
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| Frequency | 846.9 |
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| Structure | |
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| Chemical Formula | C22H24N2O2 |
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| Molecular Mass | 348.1838 |
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| SMILES | CCOC(=O)N1CCC(=C2c3ccccc3CCc3cccnc32)CC1 |
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| InChI Key | YVMQUVFVYIFGLY-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 | benzocycloheptapyridines |
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| Subclass | benzocycloheptapyridines |
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| Direct Parent | benzocycloheptapyridines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 2-halopyridinesazacyclic compoundsbenzenoidscarbamate esterscarbonyl compoundsheteroaromatic compoundshydrocarbon derivativesmethylpyridinesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspiperidinecarboxylic acidspiperidinespolyhalopyridines |
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| Substituents | carbonyl groupcarbonic acid derivativeazacyclepolyhalopyridineheteroaromatic compoundcarbamic acid estermethylpyridineorganic oxidepyridineorganic oxygen compoundaromatic heteropolycyclic compoundbenzocycloheptapyridineorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativepiperidinecarboxylic acidbenzenoid2-halopyridineorganic nitrogen compoundpiperidineorganooxygen compound |
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