HMDB0113271 RDKit 3D PE-NMe(18:4(6Z,9Z,12Z,15Z)/22:1(13Z)) 138137 0 0 0 0 0 0 0 0999 V2000 -16.6515 -2.3927 -3.3004 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.0007 -1.4006 -2.3295 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.4694 -2.1044 -1.1664 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.2099 -2.1051 -0.8094 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.1473 -1.4176 -1.5036 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4000 -0.3490 -0.8444 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5710 0.1472 0.3309 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.4983 -0.1252 1.3905 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0517 -0.6196 2.6806 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9105 -0.9389 3.1184 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5952 -0.9165 2.4287 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6532 -0.0214 3.1266 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9958 0.9483 2.5769 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0552 1.3152 1.1875 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7665 1.3595 0.4112 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9276 0.1734 0.3356 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2783 -0.3178 1.6071 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3454 0.7373 2.1348 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7032 1.5885 2.9628 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0302 0.7789 1.6826 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1485 1.7866 2.1508 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7928 1.6997 1.5178 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9299 1.7403 -0.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6216 2.9040 -0.3529 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8541 2.9870 -2.0348 P 0 0 0 0 0 5 0 0 0 0 0 0 -1.5782 3.4109 -2.7142 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0865 4.0885 -2.3819 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2862 1.4547 -2.6245 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4768 1.4580 -3.9864 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8574 0.0368 -4.3805 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7509 -0.8166 -3.9872 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0221 -2.1851 -4.3327 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0949 0.4984 1.8550 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1400 0.5912 2.4915 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5638 1.7557 2.7382 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9507 -0.5670 2.8786 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1885 -0.7494 2.0503 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0905 0.4384 2.1161 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3373 0.2047 1.2592 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2266 1.4064 1.2826 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7612 1.8070 2.6075 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6665 0.7821 3.2597 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8835 0.5548 2.3443 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8112 -0.4329 2.9692 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0901 -0.7035 2.3000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1808 -1.2453 0.9303 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6827 -0.4793 -0.1946 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5134 -0.0794 -1.1713 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9452 -0.3293 -1.2543 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7096 0.9986 -1.2814 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1858 0.8491 -1.3733 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6030 0.1165 -2.6319 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0680 -0.0395 -2.7810 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8171 -0.8147 -1.7772 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5078 -2.2648 -1.6479 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1366 -2.6486 -1.2518 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.4326 -2.9183 -2.7162 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.9087 -3.0384 -3.7584 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.2047 -1.7376 -4.0285 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.2579 -0.8035 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47120 1 0 48121 1 0 49122 1 0 49123 1 0 50124 1 0 50125 1 0 51126 1 0 51127 1 0 52128 1 0 52129 1 0 53130 1 0 53131 1 0 54132 1 0 54133 1 0 55134 1 0 55135 1 0 56136 1 0 56137 1 0 56138 1 0 M END