| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:39:27 UTC |
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| Update Date | 2025-03-25 00:46:19 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02154569 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C21H22N2O3 |
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| Molecular Mass | 350.163 |
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| SMILES | COc1ccc(C2(CCCNC(C)=O)OCc3cc(C#N)ccc32)cc1 |
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| InChI Key | YHKXWKDPXWTUKH-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 | acetamidesalkyl aryl ethersanisolescarbonyl compoundscarboxylic acids and derivativesdialkyl ethershydrocarbon derivativesisocoumaransmethoxybenzenesnitrilesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsphenoxy compoundssecondary carboxylic acid amides |
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| Substituents | phenol ethercarbonyl groupethernitrilealkyl aryl ethercarboxylic acid derivativedialkyl etherorganic oxidephenylbutylamineisocoumaranaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundcarbonitrileorganoheterocyclic compoundacetamidecarboxamide groupmethoxybenzeneoxacyclesecondary carboxylic acid amideorganic oxygen compoundanisolehydrocarbon derivativeorganic nitrogen compoundphenoxy compoundorganooxygen compound |
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