HMDB0113541 RDKit 3D PE-NMe(22:1(13Z)/18:1(11Z)) 144143 0 0 0 0 0 0 0 0999 V2000 -18.0124 3.0085 0.7877 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.5983 4.2683 1.4548 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.7835 5.1507 0.5918 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.4682 4.6517 0.1595 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.4581 3.3982 -0.6564 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.9562 3.1190 -1.0315 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.9007 1.8998 -1.8413 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.2229 0.8464 -1.5691 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3505 0.4591 -0.5312 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7913 1.2340 0.5642 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8014 2.3053 0.2527 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5715 1.7411 -0.4584 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6211 2.8821 -0.7293 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3874 2.4624 -1.4630 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5804 1.4336 -0.7377 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0936 1.8907 0.6007 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2714 0.7864 1.2312 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0865 0.5324 0.4060 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7646 1.2788 -0.5220 O 0 0 0 0 0 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90 1 0 22 91 1 0 22 92 1 0 26 93 1 0 26 94 1 0 27 95 1 0 27 96 1 0 28 97 1 0 28 98 1 0 29 99 1 0 29100 1 0 30101 1 0 30102 1 0 31103 1 0 31104 1 0 32105 1 0 32106 1 0 33107 1 0 33108 1 0 34109 1 0 34110 1 0 35111 1 0 35112 1 0 36113 1 0 36114 1 0 37115 1 0 38116 1 0 39117 1 0 39118 1 0 40119 1 0 40120 1 0 41121 1 0 41122 1 0 42123 1 0 42124 1 0 43125 1 0 43126 1 0 44127 1 0 44128 1 0 45129 1 0 45130 1 0 46131 1 0 46132 1 0 46133 1 0 47134 1 0 47135 1 0 51136 1 0 53137 1 0 53138 1 0 54139 1 0 54140 1 0 55141 1 0 56142 1 0 56143 1 0 56144 1 0 M END