HMDB0114283 RDKit 3D PE-NMe2(20:3(5Z,8Z,11Z)/20:3(5Z,8Z,11Z)) 139138 0 0 0 0 0 0 0 0999 V2000 7.0751 0.9868 1.8164 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3925 0.1443 2.8766 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8856 0.1297 2.6688 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3165 1.5097 2.7682 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8169 1.4769 2.5325 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4739 1.0149 1.1484 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9488 0.9446 0.9338 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7014 0.5624 -0.5080 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6758 0.3513 -0.9141 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4199 1.0224 -1.8086 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8555 2.1196 -2.4942 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2708 3.4517 -2.5984 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2753 4.1264 -2.2587 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4637 3.6392 -1.5768 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7844 4.2438 -0.2894 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0869 3.5894 0.7762 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2099 2.1548 1.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2923 1.7061 2.1065 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4019 0.2897 2.5357 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2120 -0.7533 1.5566 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6287 -0.6277 0.3795 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5502 -1.9687 1.8198 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3569 -2.9207 0.8402 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4951 -4.0979 1.3775 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3573 -4.8264 2.3434 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5530 -5.1888 1.6994 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6283 -6.0191 2.6627 P 0 0 0 0 0 5 0 0 0 0 0 0 -3.9677 -7.0962 3.4706 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4196 -4.8879 3.6610 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8431 -6.7621 1.7194 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5764 -7.6901 2.4460 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6278 -8.3597 1.6219 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6127 -7.5027 1.0467 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.6031 -8.2279 0.2842 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1895 -6.5491 1.9364 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1477 -4.8965 0.2212 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1648 -4.8072 -0.2482 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9466 -4.0408 0.3580 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6708 -5.5445 -1.3937 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2992 -5.0659 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