| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:53:32 UTC |
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| Update Date | 2025-03-21 18:03:53 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00047071 |
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| Frequency | 70.9 |
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| Structure | |
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| Chemical Formula | C27H30ClNO2 |
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| Molecular Mass | 435.1965 |
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| SMILES | OC1(c2ccc(Cl)cc2)CCN(CCCC(O)(c2ccccc2)c2ccccc2)CC1 |
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| InChI Key | WJRXFMLCQFSWPM-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 | benzene and substituted derivatives |
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| Subclass | diphenylmethanes |
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| Direct Parent | diphenylmethanes |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | aromatic alcoholsaryl chloridesazacyclic compoundschlorobenzeneshydrocarbon derivativesorganochloridesorganopnictogen compoundsphenylbutylaminesphenylpiperidinestertiary alcoholstrialkylamines |
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| Substituents | aromatic alcoholdiphenylmethanearomatic heteromonocyclic compoundorganochlorideorganohalogen compoundphenylbutylamineorganonitrogen compoundorganopnictogen compoundpiperidinetertiary amineorganoheterocyclic compoundaryl chloridechlorobenzenealcoholazacycletertiary aliphatic aminearyl halidetertiary alcoholorganic oxygen compoundphenylpiperidinehydrocarbon derivativeorganic nitrogen compoundhalobenzeneamineorganooxygen compound |
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