HMDB0114161 RDKit 3D PE-NMe2(18:4(6Z,9Z,12Z,15Z)/18:3(6Z,9Z,12Z)) 125124 0 0 0 0 0 0 0 0999 V2000 0.3767 1.6528 5.1990 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1175 3.0003 5.1578 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1713 4.0371 4.7397 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3302 4.7749 3.6786 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4789 4.6654 2.7588 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1837 5.9673 2.7643 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3795 6.7593 1.7678 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8833 6.4301 0.3850 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8882 7.5244 0.0964 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3514 7.2904 -0.2203 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9896 5.9353 -0.3654 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5839 5.9299 -1.7630 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8747 5.7287 -1.9556 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8259 5.4855 -0.8696 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5445 4.1596 -1.1878 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3975 3.7517 -0.0365 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2558 2.5961 -0.2818 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7145 1.3388 -0.7752 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6477 1.2770 -1.4128 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3798 0.1603 -0.5516 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1326 -1.1233 -0.9400 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7949 -1.7295 -0.7626 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8513 -3.2328 -1.1573 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2936 -3.2492 -2.4785 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4560 -4.7895 -3.0879 P 0 0 0 0 0 5 0 0 0 0 0 0 -5.3622 -5.7463 -1.8869 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.0107 -5.0449 -3.7299 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2985 -5.2727 -4.1783 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5463 -6.3535 -3.7123 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5377 -6.7860 -4.7202 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5949 -5.7681 -5.0787 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6943 -5.4283 -4.0031 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8457 -6.1859 -6.2585 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3511 -1.6436 0.5765 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0606 -1.1594 0.8311 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4462 -0.8347 -0.2551 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4226 -1.0179 2.1384 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0105 -0.4344 1.9999 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9751 0.9369 1.4562 C 0 0 0 0 0 0 0 0 0 0 0 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30 89 1 0 30 90 1 0 32 91 1 0 32 92 1 0 32 93 1 0 33 94 1 0 33 95 1 0 33 96 1 0 37 97 1 0 37 98 1 0 38 99 1 0 38100 1 0 39101 1 0 39102 1 0 40103 1 0 40104 1 0 41105 1 0 42106 1 0 43107 1 0 43108 1 0 44109 1 0 45110 1 0 46111 1 0 46112 1 0 47113 1 0 48114 1 0 49115 1 0 49116 1 0 50117 1 0 50118 1 0 51119 1 0 51120 1 0 52121 1 0 52122 1 0 53123 1 0 53124 1 0 53125 1 0 M END