| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:06:11 UTC |
|---|
| Update Date | 2025-03-21 18:29:22 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00077019 |
|---|
| Frequency | 38.2 |
|---|
| Structure | |
|---|
| Chemical Formula | C17H18IN |
|---|
| Molecular Mass | 363.0484 |
|---|
| SMILES | CNC1CCC(c2cccc(I)c2)c2ccccc21 |
|---|
| InChI Key | LNKHZCSIOHFFEU-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | tetralins |
|---|
| Subclass | tametralines |
|---|
| Direct Parent | tametralines |
|---|
| Geometric Descriptor | aromatic homopolycyclic compounds |
|---|
| Alternative Parents | aryl iodidesdialkylamineshydrocarbon derivativesiodobenzenesorganoiodidesorganopnictogen compounds |
|---|
| Substituents | secondary aliphatic aminemonocyclic benzene moietyaromatic homopolycyclic compoundsecondary amineorganohalogen compoundiodobenzeneorganoiodidearyl halidetametralineorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativearyl iodideorganic nitrogen compoundhalobenzeneamine |
|---|
