LBF18108HP03
From Metabolomics.JP
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{{Metabolite | {{Metabolite | ||
|LipidBank=DFA8077 | |LipidBank=DFA8077 | ||
Latest revision as of 09:00, 1 October 2008
Upper classes
| IDs and Links | |
|---|---|
| LipidBank | DFA8077 |
| LipidMaps | LMFA01040058 |
| CAS | |
| KEGG | {{{KEGG}}} |
| KNApSAcK | |
| CDX file | |
| MOL file | LBF18108HP03.mol |
| |
| Structural Information | |
| Systematic Name | Methyl-9,12,13,15-Bisepidioxy-16-Hydroperoxy-10-Octadecenoate |
| Common Name | |
| Symbol | |
| Formula | C19H32O8 |
| Exact Mass | 388.20971799999995 |
| Average Mass | 388.45258 |
| SMILES | C(O1)(C(CC)OO)CC(C(C=2)OOC(CCCCCCCC(=O)OC)C2)O1 |
| Physicochemical Information | |
| Melting Point | |
| Boiling Point | |
| Density | |
| Optical Rotation | |
| Reflactive Index | |
| Solubility | |
| Spectral Information | |
| Mass Spectra | GC-EI-MS(after reduction(PH3P) and TMS-derivatization)<<8085>>: m/e=313[M-131]; 131[SMTO=CHCH2CH3]; GC-EI-MS(after reduction, hydrogenation, and TMS-derivatization)<<8085>>: m/e=389[SMTO=CH(CH2)2CH(OTMS)(CH2)7COOCH3]; 299[389-HOTMS]; 259[SMTO=CH(CH2)7COOCH3] |
| UV Spectra | |
| IR Spectra | |
| NMR Spectra | 1H-NMR<<8085>>: C9, 12, 13, 15: 4.45ppm; C10, 11: 5.68ppm; C14: 2.1-2.7ppm; C16: 4.08 ppm; C17: 1.6ppm; OOH: 8.45ppm |
| Chromatograms | |
