HMDB0113395 RDKit 3D PE-NMe(20:3(8Z,11Z,14Z)/14:1(9Z)) 122121 0 0 0 0 0 0 0 0999 V2000 13.3092 4.8209 0.4177 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9826 5.5012 -0.8830 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7818 6.3668 -0.8665 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4726 5.7353 -0.5609 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4257 5.1298 0.7545 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2073 3.8610 0.9458 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9876 2.9149 -0.1275 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5772 2.2874 0.0822 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3908 1.3408 -1.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1476 0.5744 -1.1666 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7122 -0.3862 -0.1590 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4066 0.0046 1.2196 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3157 1.0373 1.4019 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0580 0.5338 0.8049 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6763 0.9727 -0.3117 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2387 -0.4262 1.4065 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0484 -0.8677 0.7722 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8793 -0.6829 1.6881 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3362 -1.1117 1.1160 O 0 0 0 0 0 0 0 0 0 0 0 0 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4.0080 1.4289 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2158 -2.3339 0.3391 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0683 -2.7508 -0.3085 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2542 -4.3387 -0.8185 P 0 0 0 0 0 5 0 0 0 0 0 0 2.3553 -4.3453 -1.8815 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1719 -4.9392 -1.5133 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7517 -5.2881 0.4752 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3967 -6.4140 -0.0346 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8278 -7.2832 1.1159 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5057 -8.4591 0.5497 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7689 -8.0308 -0.0591 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4079 4.8629 0.6416 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8375 5.3578 1.2616 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0053 3.7555 0.4461 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9128 6.0927 -1.1503 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9430 4.7435 -1.7298 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9856 7.2188 -0.1486 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7611 6.9094 -1.8653 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0638 5.1373 -1.4033 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7283 6.6108 -0.5200 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5702 5.7877 1.6359 H 0 0 0 0 0 0 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36101 1 0 36102 1 0 37103 1 0 37104 1 0 38105 1 0 38106 1 0 39107 1 0 39108 1 0 40109 1 0 40110 1 0 40111 1 0 41112 1 0 41113 1 0 45114 1 0 47115 1 0 47116 1 0 48117 1 0 48118 1 0 49119 1 0 50120 1 0 50121 1 0 50122 1 0 M END