| GlcNAca/b1-3Xyla-4Galb1-3GalNAca1-4(NeuAc?1-2NeuGc4Mea1-3)GalNAcb1-4(EtnP-6)GlcNAcb1-3Manb1-4Glcb1-1Cer
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| Structural Information
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13-Hydroperoxy-9,11,15-Octadecatrienoic Acid/13-Hydroperoxy-9,11,15-Octadecatrienoate
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| Formula
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C18H30O4
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| Exact Mass
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310.21440944799997
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| Average Mass
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310.4284
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| SMILES
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CCC=CCC(OO)C=CC=CCCCCCCCC(O)=O
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| Physicochemical Information
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| Spectral Information
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| Mass Spectra
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EI-MS(Me-ester; after reduction and hydrogenation)
Chan_HWS
Chan_HWS et al.: m/e=243[O=CH(CH2)11C(=OH)OCH3]; 214[CH2(CH2)10C(=OH)OCH3]; 211[O=CH(CH2)11C=O], GC-EI-MS(Me-ester; after reduction and TMS)
TeraoJet al.
Frankel_EN et al.: m/e=380[M]; 365[M-CH3]; 311[SMTO=CH-CH=CH-CH=CH-(CH2)7-COOCH3]
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| UV Spectra
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(Me-ester; after reduction; in etoh)
Chan_HWS et al., cis, trans, cis isomer: lmax=233nm, trans, trans, cis isomer: lmax=232nm
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| IR Spectra
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(Me-ester; after reduction)
Chan_HWS et al.
Frankel_EN et al., cis, trans, cis isomer: 989-983 and 950-945cm-1; trans, trans, cis isomer: 992-983cm-1, (Me-ester)
ToyodaIet al., OOH group: 3400cm-1
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| NMR Spectra
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1H-NMR(cis,trans,cis-isomer)
Gardner_HW et al.: C10: 5.95ppm; C11: 6.54ppm; C12: 5.54ppm; C13: 4.38ppm; J10-11=11Hz; J11-12=15Hz[C11-12: trans]; J12-13=8Hz 1H-NMR(cis,trans,cis-isomer; after reduction)
Gardner_HW et al.: C10: 5.94ppm; C11: 6.49ppm; C12: 5.64ppm; C13: 4.20ppm
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| Other Spectra
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| Chromatograms
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