| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:14:51 UTC |
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| Update Date | 2025-03-21 18:33:49 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00097719 |
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| Frequency | 28.2 |
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| Structure | |
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| Chemical Formula | C24H23ClN2O2 |
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| Molecular Mass | 406.1448 |
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| SMILES | CCOC(=O)N1CCC(=C2c3ccc(Cl)cc3CCc3cc(C#N)ccc32)CC1 |
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| InChI Key | DQTPFVNIDBTPIU-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | dibenzocycloheptenes |
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| Subclass | dibenzocycloheptenes |
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| Direct Parent | dibenzocycloheptenes |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | aryl chloridesazacyclic compoundscarbamate esterscarbonyl compoundshydrocarbon derivativesnitrilesorganic carbonic acids and derivativesorganic oxidesorganochloridesorganonitrogen compoundsorganopnictogen compoundspiperidinecarboxylic acidspiperidines |
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| Substituents | aryl chloridecarbonyl groupcarbonic acid derivativenitrileazacycleorganochloridecarbamic acid esterorganohalogen compounddibenzocycloheptenearyl halideorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativepiperidinecarboxylic acidorganic nitrogen compoundpiperidinecarbonitrileorganoheterocyclic compoundorganooxygen compound |
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