LBF20306HX01
From Metabolomics.JP
				
								
				
				
																
				
				
								
				
| IDs and Links | |
|---|---|
| LipidBank | XPR5011 | 
| LipidMaps | LMFA03090002 | 
| CAS | |
| KEGG | {{{KEGG}}} | 
| KNApSAcK | |
| CDX file | |
| MOL file | LBF20306HX01.mol | 
| TRIOXILIN A3 | |
|---|---|
  
 | |
| Structural Information | |
| Systematic Name | 8,11 (R) ,12 (S) -Trihydroxyeicosa-5 (Z,9 (E,14 (Z) -trienoic acid | 
| Common Name | 
  | 
| Symbol | |
| Formula | C20H34O5 | 
| Exact Mass | 354.240624198 | 
| Average Mass | 354.48096000000004 | 
| SMILES | OC(CC=CCCCC(O)=O)C=C[C@@H](O)[C@@H](O)CC=CCCCCC | 
| Physicochemical Information | |
| Melting Point | |
| Boiling Point | |
| Density | |
| Optical Rotation | |
| Reflactive Index | |
| Solubility | |
| Spectral Information | |
| Mass Spectra | METHYL ESTER TRIS-TMS ETHER ; m/e 444, 384, 371, 353, 281, 243, 213(base peak) <<1074>> | 
| UV Spectra | |
| IR Spectra | |
| NMR Spectra | |
| Chromatograms | |
