| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:07:12 UTC |
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| Update Date | 2025-03-25 00:56:22 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02217983 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C23H22N2O3 |
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| Molecular Mass | 374.163 |
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| SMILES | CCOC(=O)N1CCC(=C2c3ccccc3COc3cc(C#N)ccc32)CC1 |
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| InChI Key | FFOYIXLXQIWEGX-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 | benzoxepines |
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| Subclass | dibenzoxepines |
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| Direct Parent | dibenzoxepines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alkyl aryl ethersazacyclic compoundsbenzenoidscarbamate esterscarbonyl compoundshydrocarbon derivativesnitrilesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundspiperidinecarboxylic acidspiperidines |
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| Substituents | carbonyl groupethercarbonic acid derivativenitrileazacyclecarbamic acid esteralkyl aryl etheroxacycleorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativepiperidinecarboxylic acidbenzenoidorganic nitrogen compoundpiperidinedibenzoxepinecarbonitrileorganooxygen compound |
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