| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:05:11 UTC |
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| Update Date | 2025-03-25 00:55:38 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02213390 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C25H26ClNO |
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| Molecular Mass | 391.1703 |
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| SMILES | CN(C)CCCC1(c2ccccc2)c2ccc(Cl)cc2COc2ccccc21 |
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| InChI Key | YIAVWFTYCYMWFI-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 ethersaryl chlorideshydrocarbon derivativesorganochloridesorganopnictogen compoundsoxacyclic compoundsphenylbutylaminestrialkylamines |
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| Substituents | aryl chloridemonocyclic benzene moietyetherorganochloridetertiary aliphatic aminealkyl aryl etherorganohalogen compoundaryl halideoxacyclephenylbutylamineorganic oxygen compoundaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compounddibenzoxepineaminetertiary amineorganooxygen compound |
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