LBF18303HP01: Difference between revisions
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Revision as of 00:03, 20 December 2008
| IDs and Links | |
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| LipidBank | DFA8050 |
| LipidMaps | LMFA01040013 |
| CAS | |
| KEGG | {{{KEGG}}} |
| KNApSAcK | {{{KNApSAcK}}} |
| mol | LBF18303HP01 |
| 9-Hydroperoxy-10,12,15-Octadecatrienoic Acid | |
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| Structural Information | |
| 9-Hydroperoxy-10,12,15-Octadecatrienoic Acid/9-Hydroperoxy-10,12,15-Octadecatrienoate | |
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| Formula | C18H30O4 |
| Exact Mass | 310.21440944799997 |
| Average Mass | 310.4284 |
| SMILES | CCC=CCC=CC=CC(OO)CCCCCCCC(O)=O |
| Physicochemical Information | |
| Spectral Information | |
| Mass Spectra | EI-MS(Me-ester; after reduction and hydrogenation) Chan_HWS Chan_HWS et al.: m/e=187[O=CH(CH2)7C(=OH)OCH3]; 158[CH2(CH2)6C(=OH)OCH3]; 155[O=CH(CH2)7C=O], GC-EI-MS(Me-ester; after reduction and TMS) TeraoJet al. Frankel_EN et al.: m/e=380[M]; 365[M-CH3]; 223[SMTO=CH-CH=CH-CH=CH-CH2-CH=CH-CH2CH3] |
| UV Spectra | (Me-ester; after reduction; in etoh) Chan_HWS et al., trans, cis, cis isomer: lmax=236nm trans, trans, cis isomer: lmax=232nm |
| IR Spectra | (Me-ester; after reduction) Chan_HWS et al. Frankel_EN et al., trans, cis, cis isomer:9 88-983 AND 951-945cm-1; trans, trans, cis isomer: 992-983cm-1 (Me-ester) ToyodaIet al., OOH group: 3400cm-1 |
| NMR Spectra | |
| Other Spectra | |
| Chromatograms | |
| Reported Metabolites, References | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
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