HMDB0261285 RDKit 3D PE(18:3(9,11,15)-OH(13)/18:1(11Z)) 126125 0 0 0 0 0 0 0 0999 V2000 -15.3392 -4.4754 0.0793 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.3753 -3.3902 0.0706 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.7441 -2.1593 0.6622 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.6444 -1.0405 -0.0305 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.0164 0.1434 0.5939 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.8236 0.5482 -0.2181 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.2327 0.8585 -1.5186 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.7668 -0.4690 -0.3029 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4964 -0.2253 0.0285 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4736 -1.2248 -0.0583 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2104 -0.8869 0.2993 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1549 -1.9072 0.2132 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0400 -1.6340 -0.6824 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0724 -0.5328 -0.4572 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5515 0.8546 -0.3851 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5195 1.9390 -0.2575 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5672 2.1944 -1.3166 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6044 1.2215 -1.8268 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6757 0.6302 -0.8768 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8002 -0.1643 -1.2592 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6521 0.8602 0.4678 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8263 0.3559 1.4050 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3640 0.5889 1.3589 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.0065 2.0548 1.6682 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3494 2.1000 1.9037 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9023 3.6507 2.2585 P 0 0 0 0 0 5 0 0 0 0 0 0 2.1681 3.7104 3.7521 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3609 3.8941 1.4621 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7567 4.8286 1.8907 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9852 5.3096 0.6091 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0083 6.3694 0.2175 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3629 5.8417 0.2513 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3226 0.1330 0.2467 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3350 -0.8144 0.3181 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5753 -1.2247 1.4826 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0655 -1.2971 -0.8773 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1258 -2.2714 -0.4535 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1789 -1.7329 0.4487 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9457 -0.5811 -0.1681 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0003 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1 0 18 80 1 0 18 81 1 0 22 82 1 0 22 83 1 0 23 84 1 1 24 85 1 0 24 86 1 0 28 87 1 0 30 88 1 0 30 89 1 0 31 90 1 0 31 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