HMDB0113228 RDKit 3D PE-NMe(18:3(9Z,12Z,15Z)/18:1(9Z)) 128127 0 0 0 0 0 0 0 0999 V2000 2.4880 8.7802 1.5423 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9133 8.5662 0.9831 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2994 7.2048 1.3475 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6059 6.2602 0.4775 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5979 6.4635 -1.0081 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9621 6.1785 -1.4824 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2021 5.2339 -2.3447 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1178 4.3928 -2.8954 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0413 4.5647 -4.3650 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1842 3.5654 -5.1911 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4295 2.1593 -4.8949 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3188 1.2855 -5.4668 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9689 1.5925 -4.9257 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8217 1.4057 -3.4422 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3811 1.7703 -3.1093 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0569 1.6309 -1.6629 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2195 0.2701 -1.0897 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3527 -0.7549 -1.7476 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3984 -1.8935 -1.2594 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4380 -0.4955 -2.8028 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2921 -1.3093 -3.4965 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5682 -1.7696 -2.8890 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3943 -2.7900 -1.8211 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5989 -3.4924 -1.5803 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3894 -4.6602 -0.3881 P 0 0 0 0 0 5 0 0 0 0 0 0 -3.3598 -4.1211 0.9997 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6744 -5.7586 -0.5473 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9757 -5.5662 -0.6495 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8298 -6.4196 0.4423 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6049 -7.2875 0.3278 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5431 -8.1343 1.5091 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6330 -9.0062 1.4545 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4708 -0.7236 -2.5536 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6410 -0.4791 -3.2117 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8924 -1.2887 -4.1888 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6431 0.5531 -2.9812 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1549 1.9379 -2.7798 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3111 2.1452 -1.5665 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1167 1.8114 -0.3284 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3667 2.0689 0.9422 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1145 1.3129 1.1274 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2827 -0.2065 1.1537 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1899 -0.6422 2.1981 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8510 -1.4117 3.1882 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5022 -1.9299 3.3666 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9840 -1.4284 4.7078 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6053 -1.8746 5.0533 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4027 -1.3888 4.0327 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7923 -1.8340 4.3622 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0225 -3.2934 4.4110 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8710 -4.0893 3.1666 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5507 -4.1371 2.5150 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7422 8.4972 0.7472 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3530 8.1253 2.4139 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3607 9.8359 1.8113 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9582 8.8647 -0.0430 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5556 9.2568 1.6172 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3309 6.9747 2.4261 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8775 5.2833 0.9022 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3960 7.5538 -1.2232 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7918 5.8490 -1.3924 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8141 6.7722 -1.1073 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2233 5.0481 -2.6774 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4868 3.3332 -2.7085 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1548 4.4256 -2.4100 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8549 5.5936 -4.7151 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1082 3.8275 -6.2682 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6182 1.9368 -3.8507 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3626 1.7820 -5.4404 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5423 0.2117 -5.3234 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2716 1.4917 -6.5743 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6216 2.6145 -5.2485 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2511 0.8936 -5.4101 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4928 2.0059 -2.8233 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9695 0.3058 -3.2532 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7089 1.2494 -3.7949 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2661 2.8735 -3.3465 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7775 2.3018 -1.1084 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0127 1.9809 -1.5150 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9492 0.2962 -0.0228 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2984 -0.0116 -1.1987 H 0 0 0 0 0 0 0 0 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14 75 1 0 15 76 1 0 15 77 1 0 16 78 1 0 16 79 1 0 17 80 1 0 17 81 1 0 21 82 1 0 21 83 1 0 22 84 1 0 23 85 1 0 23 86 1 0 27 87 1 0 29 88 1 0 29 89 1 0 30 90 1 0 30 91 1 0 31 92 1 0 32 93 1 0 32 94 1 0 32 95 1 0 36 96 1 0 36 97 1 0 37 98 1 0 37 99 1 0 38100 1 0 38101 1 0 39102 1 0 39103 1 0 40104 1 0 40105 1 0 41106 1 0 41107 1 0 42108 1 0 42109 1 0 43110 1 0 44111 1 0 45112 1 0 45113 1 0 46114 1 0 46115 1 0 47116 1 0 47117 1 0 48118 1 0 48119 1 0 49120 1 0 49121 1 0 50122 1 0 50123 1 0 51124 1 0 51125 1 0 52126 1 0 52127 1 0 52128 1 0 M END