HMDB0113258 RDKit 3D PE-NMe(18:4(6Z,9Z,12Z,15Z)/18:2(9Z,12Z)) 124123 0 0 0 0 0 0 0 0999 V2000 6.7776 2.7921 3.3654 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8359 1.2672 3.5762 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2960 0.9842 4.8968 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2446 0.2488 5.1800 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4720 -0.3960 4.0860 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4988 -1.8440 4.3098 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4228 -2.5707 4.4676 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0779 -1.9874 4.4367 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3961 -2.3436 5.7124 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2588 -3.0227 5.6889 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4294 -3.4803 4.4843 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6242 -4.9474 4.4619 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8583 -5.4404 4.3589 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0679 -4.6266 4.2711 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6773 -4.8357 2.8865 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8868 -4.0118 2.6905 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4710 -4.0028 1.2996 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5354 -3.4138 0.3458 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3471 -3.1592 0.7358 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7908 -3.0757 -0.9922 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6995 -2.5077 -1.7349 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2007 -2.0370 -3.0581 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1332 -0.7851 -2.7707 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5625 0.1196 -2.1381 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8727 1.2176 -1.3712 P 0 0 0 0 0 5 0 0 0 0 0 0 -4.7689 1.8163 -0.2463 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4940 2.6115 -2.3180 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4304 0.7941 -0.5097 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3589 0.6953 -1.3950 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0637 0.3223 -0.7543 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1758 -0.9441 -0.1022 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2916 -2.0270 -1.0097 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1685 -1.4569 -3.8229 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7868 -1.7298 -5.0986 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4552 -2.6453 -5.6898 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6782 -1.0495 -5.8154 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3756 -1.8237 -5.7249 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7230 -1.2137 -6.4768 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2809 0.0885 -6.1940 C 0 0 0 0 0 0 0 0 0 0 0 0 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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 44109 1 0 45110 1 0 45111 1 0 46112 1 0 47113 1 0 48114 1 0 48115 1 0 49116 1 0 49117 1 0 50118 1 0 50119 1 0 51120 1 0 51121 1 0 52122 1 0 52123 1 0 52124 1 0 M END