HMDB0284002 RDKit 3D PE(22:2(13Z,16Z)/22:6(4Z,7Z,10Z,12E,16Z,19Z)-OH(14)) 142141 0 0 0 0 0 0 0 0999 V2000 -3.0010 5.9622 0.7636 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4732 6.7466 -0.4501 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3657 7.5994 -0.0057 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1344 7.5249 -0.4850 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3595 6.6306 -1.5034 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3762 5.6463 -1.2555 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9963 5.3006 -0.1634 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8058 5.8469 1.1705 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4073 4.7324 2.1609 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4098 3.7612 2.2235 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1584 4.0574 1.8237 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0291 3.2791 0.7377 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3160 2.6570 0.5090 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5477 1.8987 -0.5420 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5333 1.6272 -1.5667 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1122 0.2543 -1.7854 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2249 -0.3623 -2.9600 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7932 0.2528 -4.1596 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8312 -0.5759 -4.8188 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0876 -0.2281 -4.9006 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6439 1.0092 -4.3316 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8822 0.6969 -3.5101 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8266 -0.3632 -2.5416 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5310 -1.4333 -2.8306 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1694 -0.4598 -1.3612 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2335 -1.5588 -0.5005 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.8107 -1.2390 0.8383 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0862 -0.1875 1.4411 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4259 0.2025 2.7400 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3413 -0.4229 3.3193 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7385 1.2975 3.3836 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3223 1.1456 3.7566 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9993 0.0625 4.7516 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4592 0.1231 5.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0845 -0.8933 5.9970 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3209 -0.9804 6.4421 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4220 -1.3630 5.5693 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7014 -0.5984 4.3179 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 -1.1950 3.7314 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3278 -0.5404 2.4121 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1888 -0.7753 1.4045 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9852 -2.2149 1.2006 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0761 -2.8188 0.0439 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3863 -2.2214 -1.2641 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6303 -2.8529 -1.7627 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6309 -3.5610 -2.8630 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4519 -3.7907 -3.6655 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6650 -3.2163 -5.0743 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4265 -3.4920 -5.9119 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5267 -2.9641 -7.3098 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2664 -3.2839 -8.1050 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9962 -2.3955 -0.3410 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6430 -2.9950 -1.5657 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3342 -4.0516 -1.3426 P 0 0 0 0 0 5 0 0 0 0 0 0 -0.3576 -3.9707 -2.4729 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0137 -5.6283 -1.3995 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5477 -3.8089 0.1108 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8102 -4.8221 1.0386 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0432 -4.4970 2.3155 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5376 -3.2085 2.7624 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7470 6.6197 1.2571 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4069 4.9951 0.4482 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1387 5.7935 1.4393 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2291 5.9838 -1.1903 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3287 7.3481 -0.8469 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5635 8.3435 0.7693 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5458 8.3015 -0.0457 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7860 7.3093 -2.3340 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5068 6.1525 -2.0455 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7189 5.0481 -2.1627 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7823 4.4803 -0.2494 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8377 6.1674 1.5315 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1783 6.7052 1.3001 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3301 5.2376 3.1379 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5352 3.4237 3.1520 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7081 4.1629 2.4690 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8180 3.1735 0.1136 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1467 2.8056 1.2187 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5585 1.4609 -0.6472 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4013 2.2333 -1.3619 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9607 2.0830 -2.5063 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3277 -0.3240 -0.9391 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1532 -1.4066 -3.0118 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0918 0.2936 -4.9123 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0934 1.3064 -4.0786 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5190 -1.5533 -5.2703 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8172 -0.8749 -5.4231 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9790 1.5976 -3.7060 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9661 1.6432 -5.1828 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2385 1.6789 -3.0703 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6944 0.4752 -4.2668 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0068 -2.3028 -0.9705 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7301 -2.1515 1.4798 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9023 -0.9819 0.7830 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8158 2.2542 2.7736 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2959 1.5805 4.3390 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9979 2.1178 4.2269 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6628 1.0388 2.8463 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1863 -0.9148 4.2980 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5152 0.2425 5.7083 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3149 1.1671 5.3714 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0531 0.0024 4.0091 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8018 -0.7818 6.8634 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3516 -1.9199 5.5973 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5792 -0.0279 7.0551 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3023 -1.7402 7.3168 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3670 -1.4000 6.2241 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3014 -2.4729 5.3313 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8719 -0.8073 3.6058 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7584 0.4616 4.5077 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9298 -2.2853 3.6583 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7944 -0.9387 4.4459 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4996 0.5244 2.4847 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2082 -1.0572 1.9930 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5364 -0.2915 0.4894 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2767 -0.2199 1.7172 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7396 -2.7973 2.1109 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8891 -3.9230 0.0910 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5402 -2.2199 -1.9579 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6632 -1.1199 -1.1996 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5779 -2.7206 -1.2049 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5757 -4.0257 -3.2323 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4372 -4.9243 -3.8749 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4734 -3.5486 -3.2829 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8781 -2.1450 -4.9701 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5141 -3.7105 -5.5698 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3308 -4.6028 -5.9751 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5540 -3.0408 -5.4019 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3892 -3.3747 -7.8714 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6437 -1.8489 -7.3282 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5441 -3.9066 -8.9967 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5045 -3.8121 -7.4835 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8020 -2.3676 -8.5192 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1514 -3.2075 0.3954 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1492 -1.7877 0.0720 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9460 -5.5914 -1.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8795 -5.0045 1.2067 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3518 -5.7602 0.6248 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0224 -4.4349 2.0702 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2138 -5.2695 3.0928 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1537 -2.7293 2.0638 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9571 -3.2281 3.7102 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 1 0 9 10 1 0 9 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 2 0 23 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 2 0 29 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 2 0 43 44 1 0 44 45 1 0 45 46 2 0 46 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 26 52 1 0 52 53 1 0 53 54 1 0 54 55 2 0 54 56 1 0 54 57 1 0 57 58 1 0 58 59 1 0 59 60 1 0 1 61 1 0 1 62 1 0 1 63 1 0 2 64 1 0 2 65 1 0 3 66 1 0 4 67 1 0 5 68 1 0 5 69 1 0 6 70 1 0 7 71 1 0 8 72 1 0 8 73 1 0 9 74 1 0 10 75 1 0 11 76 1 0 12 77 1 0 13 78 1 0 14 79 1 0 15 80 1 0 15 81 1 0 16 82 1 0 17 83 1 0 18 84 1 0 18 85 1 0 19 86 1 0 20 87 1 0 21 88 1 0 21 89 1 0 22 90 1 0 22 91 1 0 26 92 1 6 27 93 1 0 27 94 1 0 31 95 1 0 31 96 1 0 32 97 1 0 32 98 1 0 33 99 1 0 33100 1 0 34101 1 0 34102 1 0 35103 1 0 35104 1 0 36105 1 0 36106 1 0 37107 1 0 37108 1 0 38109 1 0 38110 1 0 39111 1 0 39112 1 0 40113 1 0 40114 1 0 41115 1 0 41116 1 0 42117 1 0 43118 1 0 44119 1 0 44120 1 0 45121 1 0 46122 1 0 47123 1 0 47124 1 0 48125 1 0 48126 1 0 49127 1 0 49128 1 0 50129 1 0 50130 1 0 51131 1 0 51132 1 0 51133 1 0 52134 1 0 52135 1 0 56136 1 0 58137 1 0 58138 1 0 59139 1 0 59140 1 0 60141 1 0 60142 1 0 M END