| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:59:27 UTC |
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| Update Date | 2025-03-25 00:53:30 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02199985 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H18N2O2 |
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| Molecular Mass | 294.1368 |
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| SMILES | N#Cc1ccc2c(c1)COC(CCCN)(c1ccccc1)O2 |
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| InChI Key | VGUKTMOSSDJJCL-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | benzodioxanes |
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| Subclass | phenylbenzodioxanes |
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| Direct Parent | phenylbenzodioxanes |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | benzo-1,3-dioxaneshydrocarbon derivativesketalsmonoalkylaminesnitrilesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsoxacyclic compoundsphenylbutylamines |
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| Substituents | phenylbenzodioxanemonocyclic benzene moietynitrilebenzo-1,3-dioxaneoxacyclephenylbutylamineorganic oxygen compoundacetalaromatic heteropolycyclic compoundketalorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundcarbonitrileorganooxygen compound |
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