| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:15:59 UTC |
|---|
| Update Date | 2025-03-21 18:34:22 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00100470 |
|---|
| Frequency | 27.3 |
|---|
| Structure | |
|---|
| Chemical Formula | C28H29FN2O4 |
|---|
| Molecular Mass | 476.2111 |
|---|
| SMILES | CC(=O)N1CCN(c2ccc(OCC3COC(c4ccccc4)(c4ccc(F)cc4)O3)cc2)CC1 |
|---|
| InChI Key | PESNGOGANCWCLW-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | diphenylmethanes |
|---|
| Direct Parent | diphenylmethanes |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | 1,3-dioxolanesacetamidesalkyl aryl ethersamino acids and derivativesaminophenyl ethersaniline and substituted anilinesaryl fluoridesazacyclic compoundscarbonyl compoundscarboxylic acids and derivativesdialkylarylaminesfluorobenzeneshydrocarbon derivativesketalsn-arylpiperazinesorganic oxidesorganofluoridesorganopnictogen compoundsoxacyclic compoundsphenoxy compoundsphenylpiperazinestertiary carboxylic acid amides |
|---|
| Substituents | aryl fluoridediphenylmethanephenol ethermeta-dioxolanecarbonyl groupetheraromatic heteromonocyclic compoundamino acid or derivativesalkyl aryl ethercarboxylic acid derivativeorganohalogen compoundfluorobenzeneorganic oxideacetalpiperazineketaltertiary aliphatic/aromatic aminetertiary carboxylic acid amideorganonitrogen compoundorganopnictogen compounddialkylarylamineaminophenyl ethertertiary amineorganoheterocyclic compoundacetamideazacycleorganofluorideaniline or substituted anilinescarboxamide grouparyl halidephenylpiperazineoxacycleorganic oxygen compound1,4-diazinanehydrocarbon derivativeorganic nitrogen compoundhalobenzenephenoxy compoundaminen-arylpiperazineorganooxygen compound |
|---|
