HMDB0113256 RDKit 3D PE-NMe(18:4(6Z,9Z,12Z,15Z)/18:1(11Z)) 126125 0 0 0 0 0 0 0 0999 V2000 -11.7570 -5.2994 2.7390 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3138 -4.1745 1.8621 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.1172 -4.6503 0.7443 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9067 -4.4905 -0.5252 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7080 -3.7405 -1.0514 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9517 -4.5696 -1.9675 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7434 -4.9690 -1.9746 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6788 -4.7144 -1.0209 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9946 -3.9628 0.1708 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5297 -2.7996 0.5283 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5378 -2.0941 -0.3642 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1032 -0.7970 -0.7841 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5208 0.3351 -0.5415 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3209 0.7404 0.0958 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2138 -0.0419 0.6106 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3406 -0.7719 -0.3786 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6651 0.2629 -1.3121 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8530 1.1853 -0.4353 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7025 0.8106 -0.1220 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3213 2.3704 0.0086 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7017 3.3104 0.8113 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4713 3.9460 0.2649 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8333 4.6064 -1.0605 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7698 5.2885 -1.5978 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1552 6.0328 -3.0521 P 0 0 0 0 0 5 0 0 0 0 0 0 -2.6804 6.0891 -3.1367 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5640 5.0850 -4.3171 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5476 7.5957 -3.1548 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9822 8.3721 -2.0756 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3911 9.7799 -2.2322 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8093 10.6294 -1.1402 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2334 10.8647 -1.2578 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4340 3.0478 0.0389 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8271 3.2602 0.6346 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9175 4.2998 1.3642 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9858 2.3504 0.4412 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1088 2.9014 1.2606 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3837 2.1502 1.2105 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2785 0.7335 1.6753 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6913 0.1475 1.5620 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6401 -1.2929 1.9983 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9957 -1.9532 1.9415 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6334 -1.9546 0.5948 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9970 -2.6539 0.7366 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7100 -2.6735 -0.5582 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8799 -2.1163 -0.8172 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6421 -1.3837 0.1792 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0149 -1.8353 0.4977 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2418 -3.2008 1.0009 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8970 -4.3396 0.1120 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2448 -5.6201 0.8775 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9283 -6.8419 0.0361 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9080 -4.8540 3.3167 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5387 -5.6688 3.4041 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3057 -6.0967 2.1060 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5837 -3.3967 1.6833 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0641 -3.6598 2.5786 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0315 -5.2265 1.0383 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6209 -4.9113 -1.2546 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2313 -3.2355 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0.6466 2.7520 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0026 0.2931 0.5250 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3382 0.7551 2.2140 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8886 -1.8649 1.4220 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3160 -1.3105 3.0598 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6978 -1.5321 2.6764 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8312 -3.0250 2.2633 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0971 -2.4713 -0.1965 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8716 -0.8782 0.3560 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5700 -2.2953 1.5957 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7832 -3.7482 1.0023 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2139 -3.2106 -1.3970 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2801 -2.2141 -1.8187 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7811 -0.2820 -0.1586 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0736 -1.2142 1.1426 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7272 -1.6644 -0.3705 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4485 -1.1333 1.2845 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7901 -3.3540 2.0186 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3545 -3.2778 1.2204 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6049 -4.3637 -0.7727 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9068 -4.3777 -0.3124 H 0 0 0 0 0 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17 79 1 0 21 80 1 0 21 81 1 0 22 82 1 0 23 83 1 0 23 84 1 0 27 85 1 0 29 86 1 0 29 87 1 0 30 88 1 0 30 89 1 0 31 90 1 0 32 91 1 0 32 92 1 0 32 93 1 0 36 94 1 0 36 95 1 0 37 96 1 0 37 97 1 0 38 98 1 0 38 99 1 0 39100 1 0 39101 1 0 40102 1 0 40103 1 0 41104 1 0 41105 1 0 42106 1 0 42107 1 0 43108 1 0 43109 1 0 44110 1 0 44111 1 0 45112 1 0 46113 1 0 47114 1 0 47115 1 0 48116 1 0 48117 1 0 49118 1 0 49119 1 0 50120 1 0 50121 1 0 51122 1 0 51123 1 0 52124 1 0 52125 1 0 52126 1 0 M END