LBF20306HX02
From Metabolomics.JP
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{{Metabolite | {{Metabolite | ||
|LipidBank=XPR5111 | |LipidBank=XPR5111 |
Latest revision as of 09:00, 1 October 2008
Upper classes
IDs and Links | |
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LipidBank | XPR5111 |
LipidMaps | LMFA03090004 |
CAS | |
KEGG | {{{KEGG}}} |
KNApSAcK | |
CDX file | |
MOL file | LBF20306HX02.mol |
TRIOXILIN B3 | |
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Structural Information | |
Systematic Name | 10,11 (S) ,12 (R) -Trihydroxyeicosa-5,8,14 (Z,Z,Z) -trienoic acid |
Common Name |
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Symbol | |
Formula | C20H34O5 |
Exact Mass | 354.240624198 |
Average Mass | 354.48096000000004 |
SMILES | [C@@H](O)([C@@H](C(O)C=CCC=CCCCC(O)=O)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 342, 315, 269, 225, 213, 129(base peak) <<1074>> |
UV Spectra | |
IR Spectra | |
NMR Spectra | |
Chromatograms |