HMDB0008968 RDKit 3D PE(16:1(9Z)/20:3(5Z,8Z,11Z)) 125124 0 0 0 0 0 0 0 0999 V2000 -15.4330 2.1836 2.0772 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.5281 1.6689 0.9728 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.3170 0.1938 1.2064 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.6784 -0.0308 2.5319 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3528 0.6241 2.6867 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3981 0.0888 1.6355 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1921 -1.3474 1.7309 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0223 -1.8927 1.9335 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7977 -1.1223 2.0861 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8664 -1.5590 0.9412 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5725 -1.2444 -0.3216 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9516 -1.4999 -1.6035 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8958 -0.6761 -2.1575 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7012 -0.3212 -1.4216 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7720 0.7418 -0.3633 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3944 0.8587 0.2718 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1402 0.2420 1.3351 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4108 1.6118 -0.2699 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1209 1.8943 0.0187 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0368 0.8838 -0.2436 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.1807 -0.4635 0.3169 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2611 -1.1407 -0.2187 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3752 -2.7042 0.4426 P 0 0 0 0 0 5 0 0 0 0 0 0 -2.0899 -2.7223 1.9177 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9210 -3.3271 0.1503 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2774 -3.7178 -0.3927 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3461 -3.4404 -1.7599 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4037 -4.3363 -2.5226 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4651 -4.0600 -3.9263 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2134 1.4878 0.1983 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1715 1.7795 -0.7349 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9016 1.5004 -1.9531 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5076 2.4020 -0.4162 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2635 2.5569 -1.7440 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6369 3.1762 -1.5365 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2942 3.2956 -2.8318 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4177 2.7463 -3.1953 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1916 1.8778 -2.2407 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5106 2.4743 -2.0534 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9669 2.8696 -0.9055 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3244 2.8201 0.3770 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8570 2.0840 1.4970 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9109 1.3434 1.5483 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8187 1.0732 0.4503 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2329 1.5751 0.6863 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1484 1.2854 -0.4397 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3853 -0.0847 -0.8921 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9975 -1.1228 -0.0656 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3554 -1.5794 1.1874 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1714 -2.7212 1.8337 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4162 -3.1042 3.0928 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.8400 2.3595 2.9999 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.8464 3.1552 1.6954 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.2959 1.5358 2.2673 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5642 2.1821 0.9998 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.0127 1.8315 -0.0348 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8130 -0.2372 0.3391 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.3147 -0.3440 1.2514 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5355 -1.1254 2.7542 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.3572 0.4029 3.3207 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3918 1.7221 2.5702 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8976 0.3712 3.6734 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9153 0.2775 0.6430 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5261 0.7338 1.6111 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0719 -2.0166 1.6268 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9099 -2.9999 1.9999 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8505 -0.0577 2.2108 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2803 -1.5108 3.0219 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8745 -2.7263 0.9782 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8526 -1.3179 1.1108 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9475 -0.1680 -0.2169 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5483 -1.8264 -0.2805 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5951 -2.6206 -1.5425 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7770 -1.6860 -2.4201 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5199 -1.2603 -3.1059 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3452 0.2635 -2.6824 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2536 -1.2226 -0.8761 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8299 -0.0629 -2.1235 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5667 0.7549 0.3306 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8334 1.7205 -0.9936 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7863 2.9034 -0.3928 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1034 2.1462 1.1564 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9245 0.7760 -1.3509 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3338 -0.4891 1.4261 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2832 -1.0668 0.0327 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0610 -3.3868 -0.8361 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1030 -2.3700 -1.9436 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3757 -3.6329 -2.0875 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6353 -4.2565 -2.1503 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7438 -5.3979 -2.3798 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4527 -4.0858 -4.4226 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0006 -3.1862 -4.1301 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0687 1.6700 0.1783 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3791 3.3857 0.0536 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3274 1.5968 -2.2726 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6766 3.2661 -2.3640 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 2.6237 -0.7536 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5144 4.2329 -1.1391 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7808 3.9216 -3.5862 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8398 2.8967 -4.2132 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6470 1.5589 -1.3770 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3795 0.9177 -2.8336 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1498 2.5935 -2.9318 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9923 3.3326 -0.9203 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2673 2.4180 0.2142 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0269 3.9005 0.7188 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2871 2.1482 2.4870 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1535 0.8542 2.5556 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9997 -0.0888 0.5456 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4747 1.1142 -0.5738 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6363 1.2609 1.6413 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2028 2.7145 0.7758 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8704 1.9365 -1.3468 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1561 1.7441 -0.1680 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4393 -0.5549 -1.3352 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0337 -0.0134 -1.8389 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0918 -0.8688 0.0877 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0825 -2.0510 -0.7397 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3296 -0.7710 1.9422 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3693 -2.0203 0.9636 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1576 -3.5996 1.1581 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2001 -2.4101 2.0069 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9793 -2.2037 3.5710 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0255 -3.7122 3.7740 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5285 -3.7152 2.7541 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 2 0 16 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 2 0 23 25 1 0 23 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 20 30 1 0 30 31 1 0 31 32 2 0 31 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 36 37 2 0 37 38 1 0 38 39 1 0 39 40 2 0 40 41 1 0 41 42 1 0 42 43 2 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 1 52 1 0 1 53 1 0 1 54 1 0 2 55 1 0 2 56 1 0 3 57 1 0 3 58 1 0 4 59 1 0 4 60 1 0 5 61 1 0 5 62 1 0 6 63 1 0 6 64 1 0 7 65 1 0 8 66 1 0 9 67 1 0 9 68 1 0 10 69 1 0 10 70 1 0 11 71 1 0 11 72 1 0 12 73 1 0 12 74 1 0 13 75 1 0 13 76 1 0 14 77 1 0 14 78 1 0 15 79 1 0 15 80 1 0 19 81 1 0 19 82 1 0 20 83 1 6 21 84 1 0 21 85 1 0 25 86 1 0 27 87 1 0 27 88 1 0 28 89 1 0 28 90 1 0 29 91 1 0 29 92 1 0 33 93 1 0 33 94 1 0 34 95 1 0 34 96 1 0 35 97 1 0 35 98 1 0 36 99 1 0 37100 1 0 38101 1 0 38102 1 0 39103 1 0 40104 1 0 41105 1 0 41106 1 0 42107 1 0 43108 1 0 44109 1 0 44110 1 0 45111 1 0 45112 1 0 46113 1 0 46114 1 0 47115 1 0 47116 1 0 48117 1 0 48118 1 0 49119 1 0 49120 1 0 50121 1 0 50122 1 0 51123 1 0 51124 1 0 51125 1 0 M END