LBF20207EO01
From Metabolomics.JP
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{{Metabolite | {{Metabolite | ||
|LipidBank=DFA8091 | |LipidBank=DFA8091 | ||
Latest revision as of 09:00, 1 October 2008
Upper classes
| IDs and Links | |
|---|---|
| LipidBank | DFA8091 |
| LipidMaps | - |
| CAS | |
| KEGG | {{{KEGG}}} |
| KNApSAcK | |
| CDX file | |
| MOL file | LBF20207EO01.mol |
| |
| Structural Information | |
| Systematic Name | 7- [ 3,5-Epidioxy-2- (3-Hydroperoxy-1-Octenyl) Cycropentyl ] -5-Heptenoic Acid/7- [ 3,5-Epidioxy-2- (3-Hydroperoxy-1-Octenyl) Cycropentyl ] -5-Heptenoate |
| Common Name | |
| Symbol | |
| Formula | C20H32O6 |
| Exact Mass | 368.219888756 |
| Average Mass | 368.46448 |
| SMILES | C(CCC(OO)C=CC(C21)C(CC=CCCCC(O)=O)C(OO2)C1)CC |
| Physicochemical Information | |
| Melting Point | |
| Boiling Point | |
| Density | |
| Optical Rotation | |
| Reflactive Index | |
| Solubility | |
| Spectral Information | |
| Mass Spectra | GC-EI-MS(Me-ester; after reduction and TMS)<<8080>>: m/e=569[M-CH3]; 513[M-(CH2)4CH3]; 494[M-HOTMS]; 404[M-2xHOTMS]; 378[494-SMTO=CHCH2]; 367[M-SMTOCH=CHCH=OTMS]; 191[SMTO=CHOTMS]; 173[SMTO=CH(CH2)4CH3]; GC-EI-MS(Me-ester; after reduction, hydrogenation and TMS) |
| UV Spectra | |
| IR Spectra | |
| NMR Spectra | |
| Chromatograms | |
