| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:00:00 UTC |
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| Update Date | 2025-03-25 00:53:41 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02201282 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C22H26N2O3 |
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| Molecular Mass | 366.1943 |
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| SMILES | COc1ccc(C2(CCCN(C)C)OCc3cc(C#N)ccc32)c(OC)c1 |
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| InChI Key | XWDAAYCHMBJTPI-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 | phenylbutylamines |
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| Direct Parent | phenylbutylamines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alkyl aryl ethersanisolesdialkyl ethersdimethoxybenzeneshydrocarbon derivativesisocoumaransnitrilesorganopnictogen compoundsoxacyclic compoundsphenoxy compoundstrialkylamines |
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| Substituents | phenol etherethernitrilealkyl aryl etherdialkyl etherdimethoxybenzenephenylbutylamineisocoumaranaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundcarbonitriletertiary amineorganoheterocyclic compoundtertiary aliphatic aminemethoxybenzeneoxacycleorganic oxygen compoundm-dimethoxybenzeneanisolehydrocarbon derivativeorganic nitrogen compoundphenoxy compoundamineorganooxygen compound |
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