| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:22:51 UTC |
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| Update Date | 2025-03-21 18:37:48 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00117287 |
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| Frequency | 22.3 |
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| Structure | |
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| Chemical Formula | C22H22ClNO |
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| Molecular Mass | 351.139 |
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| SMILES | CC(=O)N1CCC(=C2c3ccccc3CCc3cc(Cl)ccc32)CC1 |
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| InChI Key | ZLNFNOTVLLMBCN-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 | acetamidesaryl chloridesazacyclic compoundscarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativesn-acylpiperidinesorganic oxidesorganochloridesorganonitrogen compoundsorganopnictogen compoundstertiary carboxylic acid amides |
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| Substituents | aryl chloridecarbonyl groupazacycleorganochloridecarboxamide groupcarboxylic acid derivativeorganohalogen compounddibenzocycloheptenearyl haliden-acyl-piperidineorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundtertiary carboxylic acid amideorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundpiperidineorganoheterocyclic compoundacetamideorganooxygen compound |
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