| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:39:34 UTC |
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| Update Date | 2025-03-25 00:46:22 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02154831 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C21H20ClNO2 |
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| Molecular Mass | 353.1183 |
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| SMILES | CC(=O)N1CCC(=C2c3ccccc3COc3cc(Cl)ccc32)CC1 |
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| InChI Key | PBLHKYLRARFKPY-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 | acetamidesalkyl aryl ethersaryl chloridesazacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativesn-acylpiperidinesorganic oxidesorganochloridesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundstertiary carboxylic acid amides |
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| Substituents | carbonyl groupetherorganochloridealkyl aryl ethercarboxylic acid derivativeorganohalogen compoundorganic oxidearomatic heteropolycyclic compoundtertiary carboxylic acid amideorganonitrogen compoundorganopnictogen compoundpiperidinedibenzoxepineacetamidearyl chlorideazacyclecarboxamide grouparyl halideoxacyclen-acyl-piperidineorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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