| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:51:28 UTC |
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| Update Date | 2025-03-21 18:03:04 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00042040 |
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| Frequency | 81.5 |
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| Structure | |
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| Chemical Formula | C19H17N3O |
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| Molecular Mass | 303.1372 |
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| SMILES | N#Cc1ccc(C2(CCCN)OCc3cc(C#N)ccc32)cc1 |
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| InChI Key | MODSAIHYWCOJNA-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 | benzonitrilesdialkyl ethershydrocarbon derivativesisocoumaransmonoalkylaminesnitrilesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compounds |
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| Substituents | ethernitriledialkyl etherbenzonitrileoxacyclephenylbutylamineisocoumaranorganic oxygen compoundaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundcarbonitrileorganoheterocyclic compoundorganooxygen compound |
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