HMDB0113577 RDKit 3D PE-NMe(22:2(13Z,16Z)/20:2(11Z,14Z)) 146145 0 0 0 0 0 0 0 0999 V2000 6.8024 6.2616 1.4306 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6723 5.2582 1.7953 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7590 5.0836 3.2551 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8373 4.2471 3.9951 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6738 2.8029 3.7765 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2535 2.2871 2.5028 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1539 1.6271 2.2802 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1941 1.3401 3.3720 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9812 -0.0837 3.5808 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7975 -0.6454 3.4424 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4573 0.0010 3.0760 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5387 -0.1863 4.1505 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8377 -1.6810 4.3098 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9331 -1.9378 5.2667 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3082 -3.3515 5.4588 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4351 -4.3523 6.0198 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1634 -4.8505 5.5625 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9634 -5.5528 4.2734 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2498 -4.7162 3.0866 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9791 -5.4482 1.7637 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2705 -4.4862 0.6160 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9362 -5.1981 -0.6577 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6085 -6.3972 -0.6711 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9852 -4.5116 -1.8537 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6861 -5.0158 -3.1251 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8551 -3.8679 -4.1368 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1348 -4.2525 -5.3837 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1336 -4.6913 -4.9859 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1295 -5.1679 -6.2288 P 0 0 0 0 0 5 0 0 0 0 0 0 2.2765 -4.0077 -7.1860 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5352 -6.4737 -7.1050 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6454 -5.5578 -5.5303 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9679 -4.5028 -4.7095 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2680 -4.6487 -3.9736 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2921 -5.8108 -3.1028 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6045 -5.7970 -2.4410 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1259 -3.4043 -4.2363 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7067 -2.2555 -3.7359 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9395 -1.5166 -3.0789 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1076 -1.8831 -3.9234 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5553 -0.7760 -3.0326 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8997 0.5444 -3.1468 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0199 1.2163 -4.4922 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4000 2.5755 -4.4217 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9354 2.5700 -4.1235 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3833 3.9878 -3.9971 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0115 4.6837 -2.8419 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4720 6.1004 -2.7161 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0213 6.1850 -2.5502 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6168 6.6930 -1.5192 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0763 7.2739 -0.3237 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3870 6.4928 0.8549 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3650 5.7896 1.6578 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8280 5.6572 1.5196 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1069 4.1790 1.3156 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5833 3.8883 1.1852 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3134 4.3130 2.4420 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7591 3.5407 3.6284 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8987 6.2697 0.3083 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5527 7.2670 1.8258 H 0 0 0 0 0 0 0 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16 87 1 0 17 88 1 0 17 89 1 0 18 90 1 0 18 91 1 0 19 92 1 0 19 93 1 0 20 94 1 0 20 95 1 0 21 96 1 0 21 97 1 0 25 98 1 0 25 99 1 0 26100 1 0 27101 1 0 27102 1 0 31103 1 0 33104 1 0 33105 1 0 34106 1 0 34107 1 0 35108 1 0 36109 1 0 36110 1 0 36111 1 0 40112 1 0 40113 1 0 41114 1 0 41115 1 0 42116 1 0 42117 1 0 43118 1 0 43119 1 0 44120 1 0 44121 1 0 45122 1 0 45123 1 0 46124 1 0 46125 1 0 47126 1 0 47127 1 0 48128 1 0 48129 1 0 49130 1 0 50131 1 0 51132 1 0 51133 1 0 52134 1 0 53135 1 0 54136 1 0 54137 1 0 55138 1 0 55139 1 0 56140 1 0 56141 1 0 57142 1 0 57143 1 0 58144 1 0 58145 1 0 58146 1 0 M END