| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:59:25 UTC |
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| Update Date | 2025-03-21 18:06:03 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00060806 |
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| Frequency | 51.4 |
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| Structure | |
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| Chemical Formula | C21H24N2O2 |
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| Molecular Mass | 336.1838 |
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| SMILES | COc1ccc(C2(CCCN(C)C)OCc3cc(C#N)ccc32)cc1 |
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| InChI Key | RCMIUWUYNFSCAE-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 ethershydrocarbon derivativesisocoumaransmethoxybenzenesnitrilesorganopnictogen compoundsoxacyclic compoundsphenoxy compoundstrialkylamines |
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| Substituents | phenol etherethernitrilealkyl aryl etherdialkyl etherphenylbutylamineisocoumaranaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundcarbonitriletertiary amineorganoheterocyclic compoundtertiary aliphatic aminemethoxybenzeneoxacycleorganic oxygen compoundanisolehydrocarbon derivativeorganic nitrogen compoundphenoxy compoundamineorganooxygen compound |
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