| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:06:59 UTC |
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| Update Date | 2025-03-21 18:29:41 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00078989 |
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| Frequency | 37.0 |
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| Structure | |
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| Chemical Formula | C23H23N3O2 |
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| Molecular Mass | 373.179 |
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| SMILES | CCOC(=O)N1CCC(=C2c3cc(C#N)ccc3CCc3cccnc32)CC1 |
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| InChI Key | PMKZIYUNTPBRAU-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 derivativesmethylpyridinesnitrilesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspiperidinecarboxylic acidspiperidinespolyhalopyridines |
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| Substituents | carbonyl groupnitrilepolyhalopyridineorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundpiperidinecarboxylic acid2-halopyridinepiperidinecarbonitrilecarbonic acid derivativeazacycleheteroaromatic compoundcarbamic acid estermethylpyridinepyridineorganic oxygen compoundbenzocycloheptapyridinehydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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