HMDB0009760 RDKit 3D PE(24:1(15Z)/20:3(5Z,8Z,11Z)) 149148 0 0 0 0 0 0 0 0999 V2000 -11.3163 6.5833 -1.8394 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5872 5.8400 -1.3960 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1556 4.9315 -0.2576 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.3033 4.1323 0.3174 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.8879 3.2689 -0.8089 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.0427 2.4616 -0.3162 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.7244 1.6134 -1.2986 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.0054 0.4840 -1.9482 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.8011 0.7796 -2.6837 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.6412 0.2411 -2.4099 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5282 -0.7341 -1.2793 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0898 -1.9961 -1.8909 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0267 -2.6307 -1.5386 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0156 -2.3947 -0.5566 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0007 -1.3176 0.3844 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0858 -0.3692 0.4826 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9095 -0.2784 -0.3906 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6075 -0.3739 0.3873 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4855 0.7027 1.4154 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2123 0.5423 2.1338 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0989 1.0950 3.2669 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1569 -0.1694 1.6381 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9304 -0.3493 2.3040 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.7658 0.2368 1.5861 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5362 -0.2989 0.2999 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4332 0.2092 -0.4047 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2667 1.1116 0.1693 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0985 -0.2886 -1.7557 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7299 -1.5468 -1.5455 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9269 -1.1938 -0.7163 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7783 -0.1816 -1.4027 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9712 0.2134 -0.5439 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8612 -0.9495 -0.1923 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9655 -0.3734 0.6863 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9525 -1.3742 1.1597 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7257 -2.0944 0.1103 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5425 -1.1295 -0.7511 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3317 -1.9138 -1.7643 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1353 -1.0309 -2.6617 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0847 -0.1946 -1.8612 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9994 -0.9803 -1.0362 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2971 -0.9391 -1.1435 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0229 -0.1015 -2.1074 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9177 0.8979 -1.3907 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9069 0.2010 -0.5184 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8250 1.1805 0.1987 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0595 2.1325 1.0611 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9859 3.0734 1.7655 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7991 3.8791 0.7792 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8890 4.6838 -0.1262 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7271 -1.8157 2.6425 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5327 -2.0410 3.2790 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2670 -3.6424 3.6671 P 0 0 0 0 0 5 0 0 0 0 0 0 -1.6493 -3.8269 5.1218 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3913 -4.0541 3.5519 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0883 -4.7263 2.6805 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6520 -5.7685 3.4393 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3718 -6.6968 2.4746 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9687 -7.7873 3.2182 N 0 0 0 0 0 0 0 0 0 0 0 0 -11.5769 7.0619 -2.8168 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4776 5.8837 -1.9120 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1482 7.3502 -1.0389 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8935 5.2247 -2.2806 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3368 6.5576 -1.0676 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3478 4.3011 -0.6385 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6793 5.5728 0.5443 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0689 4.7579 0.7796 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8441 3.4054 1.0401 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0280 2.7047 -1.1947 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2963 3.9947 -1.5620 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.7294 1.9213 0.6159 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.7901 3.2172 0.0817 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.1044 2.2849 -2.1347 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.6931 1.2032 -0.8454 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.7633 0.1664 -2.7927 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.0279 -0.4504 -1.3448 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8566 1.4978 -3.5241 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7533 0.4761 -2.9724 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3783 -0.8310 -0.6322 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7363 -0.2443 -0.6286 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7489 -2.3727 -2.6942 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8619 -3.5844 -2.1454 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0268 -3.3661 0.0954 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9534 -2.5494 -1.0026 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8148 -1.2727 1.1404 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2449 0.3768 1.2756 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9048 -0.8947 -1.2841 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9054 0.7839 -0.7882 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7384 -0.3067 -0.2948 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5055 -1.3615 0.9108 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3057 0.6914 2.1626 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5025 1.7245 0.9780 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0635 0.1766 3.3010 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8230 1.3463 1.5323 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8600 0.0371 2.2313 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0463 -0.5611 -2.3028 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4255 0.4707 -2.3296 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0905 -2.3170 -1.0735 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1004 -1.8685 -2.5434 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5072 -2.1076 -0.4241 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6342 -0.7502 0.2784 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2187 -0.5643 -2.3562 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2744 0.7587 -1.6601 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5124 0.9964 -1.0998 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5407 0.6958 0.3639 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3295 -1.7379 0.3726 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2580 -1.4241 -1.1108 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4821 0.0915 1.5574 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4946 0.4449 0.1513 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3890 -2.1403 1.7582 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6765 -0.8299 1.8231 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4684 -2.7416 0.6180 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0999 -2.7498 -0.5277 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2161 -0.5496 -0.0680 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9119 -0.4045 -1.2929 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6557 -2.5326 -2.4042 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9643 -2.6544 -1.2253 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4970 -0.3429 -3.2527 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6606 -1.6889 -3.3866 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4577 0.4437 -1.1626 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5797 0.5802 -2.4977 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5763 -1.6598 -0.2610 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9219 -1.5693 -0.4794 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7297 -0.8070 -2.6649 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4392 0.3693 -2.8924 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3831 1.5290 -2.1706 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2712 1.5694 -0.7799 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5335 -0.5055 -1.0961 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3774 -0.3914 0.2478 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3699 1.7684 -0.5748 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5053 0.6139 0.8551 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4669 1.5912 1.8480 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3788 2.7618 0.4351 H 0 0 0 0 0 0 0 0 0 0 0 0 17.7048 2.4894 2.3903 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3845 3.7577 2.4158 H 0 0 0 0 0 0 0 0 0 0 0 0 18.4443 4.6156 1.3298 H 0 0 0 0 0 0 0 0 0 0 0 0 18.4627 3.2687 0.1675 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9307 4.8545 0.3625 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3910 5.6533 -0.3707 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7609 4.1007 -1.0603 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5382 -2.0697 3.3915 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8711 -2.4925 1.7974 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5810 -4.8922 4.0042 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9032 -6.3296 4.0005 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3601 -5.3046 4.1375 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1278 -6.1192 1.9412 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6651 -7.0802 1.7046 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4613 -7.9788 4.1101 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9582 -8.6758 2.6459 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 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 2 0 20 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 2 0 26 28 1 0 28 29 1 0 29 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 1 0 38 39 1 0 39 40 1 0 40 41 1 0 41 42 2 0 42 43 1 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 23 51 1 0 51 52 1 0 52 53 1 0 53 54 2 0 53 55 1 0 53 56 1 0 56 57 1 0 57 58 1 0 58 59 1 0 1 60 1 0 1 61 1 0 1 62 1 0 2 63 1 0 2 64 1 0 3 65 1 0 3 66 1 0 4 67 1 0 4 68 1 0 5 69 1 0 5 70 1 0 6 71 1 0 6 72 1 0 7 73 1 0 7 74 1 0 8 75 1 0 8 76 1 0 9 77 1 0 10 78 1 0 11 79 1 0 11 80 1 0 12 81 1 0 13 82 1 0 14 83 1 0 14 84 1 0 15 85 1 0 16 86 1 0 17 87 1 0 17 88 1 0 18 89 1 0 18 90 1 0 19 91 1 0 19 92 1 0 23 93 1 1 24 94 1 0 24 95 1 0 28 96 1 0 28 97 1 0 29 98 1 0 29 99 1 0 30100 1 0 30101 1 0 31102 1 0 31103 1 0 32104 1 0 32105 1 0 33106 1 0 33107 1 0 34108 1 0 34109 1 0 35110 1 0 35111 1 0 36112 1 0 36113 1 0 37114 1 0 37115 1 0 38116 1 0 38117 1 0 39118 1 0 39119 1 0 40120 1 0 40121 1 0 41122 1 0 42123 1 0 43124 1 0 43125 1 0 44126 1 0 44127 1 0 45128 1 0 45129 1 0 46130 1 0 46131 1 0 47132 1 0 47133 1 0 48134 1 0 48135 1 0 49136 1 0 49137 1 0 50138 1 0 50139 1 0 50140 1 0 51141 1 0 51142 1 0 55143 1 0 57144 1 0 57145 1 0 58146 1 0 58147 1 0 59148 1 0 59149 1 0 M END