| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:57:10 UTC |
|---|
| Update Date | 2025-03-25 00:52:35 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02194729 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C16H27NO3 |
|---|
| Molecular Mass | 281.1991 |
|---|
| SMILES | CCN(CC)CCCC(O)c1ccc(OC)c(OC)c1 |
|---|
| InChI Key | MPIWLLGEXFLBCV-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | phenylbutylamines |
|---|
| Direct Parent | phenylbutylamines |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | alkyl aryl ethersanisolesaromatic alcoholsdimethoxybenzeneshydrocarbon derivativesorganopnictogen compoundsphenoxy compoundssecondary alcoholstrialkylamines |
|---|
| Substituents | aromatic alcoholphenol etheretheralkyl aryl etherdimethoxybenzenephenylbutylamineo-dimethoxybenzeneorganonitrogen compoundorganopnictogen compoundtertiary aminealcoholtertiary aliphatic aminemethoxybenzenearomatic homomonocyclic compoundorganic oxygen compoundanisolesecondary alcoholhydrocarbon derivativeorganic nitrogen compoundphenoxy compoundamineorganooxygen compound |
|---|
