| 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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16-Hydroperoxy-9,12,14-Octadecatrienoic Acid/16-Hydroperoxy-9,12,14-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(OO)C=CC=CCC=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
Frankel_EN et al.: m/e=285[O=CH(CH2)14C(=OH)OCH3]; 256[CH2(CH2)13C(=OH)OCH3]; 253[O=CH(CH2)14C=O], GC-EI-MS(Me-ester; after reduction,tms)
Frankel_EN et al.: m/e=380[M]; 365[M-CH3]; 351[SMTO=CH-CH=CH-CH=CH-CH2-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, cis, trans isomer: lmax=236nm, cis, trans, trans 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, cis, trans isomer: 989-983 and 951-945cm-1; cis, trans, trans isomer: 991-983cm-1, (Me-ester)
ToyodaIet al., OOH group: 3400cm-1
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| NMR Spectra
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| Other Spectra
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| Chromatograms
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