HMDB0009176 RDKit 3D PE(18:3(9Z,12Z,15Z)/22:5(7Z,10Z,13Z,16Z,19Z)) 129128 0 0 0 0 0 0 0 0999 V2000 0.2377 4.5860 10.0722 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1060 4.3640 8.5933 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0550 4.5660 7.7346 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5770 3.6519 6.9637 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9850 2.2659 6.9123 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5710 2.0094 5.5250 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0690 1.0278 4.8286 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0664 0.0718 5.2891 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5957 -1.3323 5.2424 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2470 -2.2328 4.5704 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4850 -2.0560 3.7823 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2673 -2.4789 2.3925 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3906 -1.7344 1.3337 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7720 -0.3165 1.4105 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0387 0.0386 0.7807 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2676 0.8688 -0.1970 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1571 1.5990 -0.8425 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2398 1.4230 -2.3784 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0896 2.1666 -3.0326 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2352 2.3217 -4.4831 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3343 1.2828 -5.4637 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3032 0.3574 -5.8599 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5362 -0.4074 -6.8931 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0792 0.1699 -5.2989 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1386 -0.7632 -5.8681 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.1272 -0.1499 -6.3091 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0244 0.3828 -5.4191 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8577 -0.2844 -4.5390 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7916 -1.5411 -4.5746 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7895 0.3209 -3.5923 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5740 -0.6397 -2.7493 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6560 -1.5112 -1.8955 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4028 -2.4620 -1.0215 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6504 -3.4651 -0.2593 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5880 -3.0772 0.6752 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3692 -2.4258 0.1356 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3314 -2.0989 1.1469 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0040 -0.8674 1.3946 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6225 0.2891 0.7072 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3720 1.0436 -0.0281 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6206 2.3013 0.1729 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0710 3.1132 1.1641 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9364 3.6335 2.1306 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1416 4.8903 2.3343 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4168 5.9593 1.6455 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4952 6.7832 0.9022 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0785 -1.9612 -4.9801 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3734 -2.5409 -4.9174 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4323 -3.9236 -3.9934 P 0 0 0 0 0 5 0 0 0 0 0 0 2.7148 -3.9729 -3.1658 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1456 -4.0860 -2.9086 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4288 -5.2747 -5.0363 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5658 -4.9241 -6.3622 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5471 -6.1780 -7.2052 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6944 -5.8129 -8.6182 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9274 5.4495 10.1700 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6269 3.6810 10.5507 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7027 4.8532 10.5994 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7980 5.2620 8.3711 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7446 3.5135 8.4455 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5567 5.5684 7.7110 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4588 3.8546 6.3288 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0804 2.1665 7.5609 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6931 1.5309 7.2694 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1830 2.6815 5.0798 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6846 0.9354 3.7996 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3671 0.2520 6.3282 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0281 0.1707 4.7135 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6731 -1.5465 5.8080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8123 -3.2519 4.5990 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1547 -2.9352 4.2118 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0735 -1.1777 3.9643 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9662 -3.5400 2.1872 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2041 -2.1708 0.3255 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9065 0.3288 1.1145 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8910 -0.0491 2.5061 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9296 -0.4757 1.2051 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2988 1.0477 -0.5651 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1858 1.2317 -0.5357 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3439 2.6777 -0.6619 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2878 0.3718 -2.6580 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1748 1.9135 -2.7113 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9275 3.1331 -2.5608 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1798 1.5385 -2.8254 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3925 3.0884 -4.7613 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1371 3.0584 -4.6476 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2118 0.5747 -5.1252 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7824 1.7435 -6.4301 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6729 -1.1564 -6.8113 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8162 0.7130 -6.9987 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6095 -0.8489 -7.0549 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5512 0.8914 -4.2019 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3284 1.0731 -2.9212 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2449 -0.0731 -2.0743 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2097 -1.3352 -3.3326 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9113 -2.0327 -2.4780 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1341 -0.7208 -1.2770 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2161 -2.9958 -1.6101 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9634 -1.8267 -0.2566 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3063 -4.3180 -0.9504 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4476 -4.0317 0.3571 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0524 -2.4253 1.4885 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2403 -3.9697 1.2902 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8391 -3.3374 -0.4225 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4349 -1.7267 -0.6734 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1717 -2.9016 1.7055 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7924 -0.6066 2.1285 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1272 0.8368 1.5487 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4541 0.0194 0.0390 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9496 0.5028 -0.8171 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3976 2.7963 -0.4405 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8378 2.6464 1.7797 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5852 3.9308 0.6041 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5291 2.8644 2.6840 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8988 5.2061 3.0632 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0293 6.6390 2.4626 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3976 5.7126 0.9941 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6046 7.7872 1.3676 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1992 6.8455 -0.1502 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4783 6.2923 0.9386 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1573 -1.7162 -3.9341 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5915 -2.7580 -5.3626 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0471 -5.0391 -2.7196 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7016 -4.2941 -6.6542 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4698 -4.3155 -6.5765 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5614 -6.6848 -7.1172 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3289 -6.9088 -6.9365 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7313 -5.7741 -9.0768 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1448 -4.8861 -8.6671 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 2 0 10 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 22 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 2 0 28 30 1 0 30 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 2 0 38 39 1 0 39 40 1 0 40 41 2 0 41 42 1 0 42 43 1 0 43 44 2 0 44 45 1 0 45 46 1 0 25 47 1 0 47 48 1 0 48 49 1 0 49 50 2 0 49 51 1 0 49 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 1 56 1 0 1 57 1 0 1 58 1 0 2 59 1 0 2 60 1 0 3 61 1 0 4 62 1 0 5 63 1 0 5 64 1 0 6 65 1 0 7 66 1 0 8 67 1 0 8 68 1 0 9 69 1 0 10 70 1 0 11 71 1 0 11 72 1 0 12 73 1 0 13 74 1 0 14 75 1 0 14 76 1 0 15 77 1 0 16 78 1 0 17 79 1 0 17 80 1 0 18 81 1 0 18 82 1 0 19 83 1 0 19 84 1 0 20 85 1 0 20 86 1 0 21 87 1 0 21 88 1 0 25 89 1 6 26 90 1 0 26 91 1 0 30 92 1 0 30 93 1 0 31 94 1 0 31 95 1 0 32 96 1 0 32 97 1 0 33 98 1 0 33 99 1 0 34100 1 0 34101 1 0 35102 1 0 35103 1 0 36104 1 0 36105 1 0 37106 1 0 38107 1 0 39108 1 0 39109 1 0 40110 1 0 41111 1 0 42112 1 0 42113 1 0 43114 1 0 44115 1 0 45116 1 0 45117 1 0 46118 1 0 46119 1 0 46120 1 0 47121 1 0 47122 1 0 51123 1 0 53124 1 0 53125 1 0 54126 1 0 54127 1 0 55128 1 0 55129 1 0 M END