LBF18207HO05
From Metabolomics.JP
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{{Metabolite | {{Metabolite | ||
|LipidBank=DFA8030 | |LipidBank=DFA8030 |
Latest revision as of 09:00, 1 October 2008
Upper classes
IDs and Links | |
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LipidBank | DFA8030 |
LipidMaps | LMFA01050132 |
CAS | |
KEGG | {{{KEGG}}} |
KNApSAcK | |
CDX file | |
MOL file | LBF18207HO05.mol |
Structural Information | |
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Systematic Name | 9,14-Dihydroxy-10,12-Octadecadienoic Acid |
Common Name | |
Symbol | |
Formula | C18H32O4 |
Exact Mass | 312.23005951199997 |
Average Mass | 312.44428 |
SMILES | CCCCC(O)C=CC=CC(O)CCCCCCCC(O)=O |
Physicochemical Information | |
Melting Point | |
Boiling Point | |
Density | |
Optical Rotation | |
Reflactive Index | |
Solubility | |
Spectral Information | |
Mass Spectra | GC-EI-MS(after methanolysis and trimethylsilylation)<<8055>>: m/e=455[M-CH3], 439[M-OCH3], 413[M-(CH2)CH3], 323[413-HOTMS], 313[M-(CH2)7COOCH3], 259[SMTO=CH-(CH2)7COOCH3], 159[SMTO=CH- (CH2)3CH3]/ GC-EI-MS(after methanolysis, hydrogenation and trimethylsilylation)(074): m/e=459[M-CH3], 417[M-(CH2)3CH3], 388[(CH2)4-CH(OTMS)-(CH2)7COOCH3] |
UV Spectra | |
IR Spectra | |
NMR Spectra | |
Chromatograms |