HMDB0054717 RDKit 3D TG(22:4(7Z,10Z,13Z,16Z)/16:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)) 165164 0 0 0 0 0 0 0 0999 V2000 7.3445 -5.8907 0.8697 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0061 -6.8180 2.0193 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8374 -6.1306 3.2993 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7820 -6.0896 4.0719 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5425 -6.8191 3.6568 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4431 -5.8571 3.5357 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8080 -5.6709 2.4206 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0961 -6.3811 1.1548 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8574 -7.1119 0.8008 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2017 -6.8922 -0.2855 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5858 -5.9087 -1.3020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7770 -6.5734 -2.6088 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0885 -6.2682 -3.6669 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0406 -5.2289 -3.6941 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3548 -4.1611 -4.6692 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5161 -2.8987 -4.3953 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4140 -2.3188 -3.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6541 -1.2512 -2.9119 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4561 -0.0834 -3.8313 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7998 0.6335 -3.6848 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8319 0.0877 -4.1919 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9942 1.8587 -3.0487 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3583 2.3016 -3.0844 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6660 3.5724 -2.4498 C 0 0 2 0 0 0 0 0 0 0 0 0 4.0883 4.0252 -2.7450 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1053 3.2189 -2.2447 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5785 2.0368 -2.6862 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1260 1.5123 -3.7233 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6599 1.2802 -1.9705 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7599 -0.1229 -2.5766 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5091 -0.9008 -2.3790 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1994 -1.2407 -0.9262 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8266 -1.9298 -0.8606 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5870 -2.4126 0.4734 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6469 -2.0226 1.2455 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6175 -0.9859 0.9292 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8169 0.0109 2.0459 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8961 0.3361 2.9046 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4903 -0.2298 2.8953 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3945 0.8948 2.8293 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2148 1.1282 1.8858 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3698 0.2852 0.7100 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9973 1.1357 -0.4496 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8213 1.4454 -1.3942 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2063 1.0312 -1.4791 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3697 0.2210 -2.7759 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7853 -0.2146 -2.9928 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2595 -1.0724 -1.8596 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4692 -2.3345 -1.6609 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4882 3.5811 -1.0388 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7053 4.4877 -0.3582 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0745 5.3552 -0.9893 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6168 4.4433 1.1096 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4085 3.8897 1.7280 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8994 4.5559 1.4875 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9203 5.9916 1.9050 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2599 6.6290 1.7507 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3031 5.9791 2.6403 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6717 6.6699 2.5035 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5721 6.0098 3.4554 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6875 5.4123 3.1282 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2560 5.2816 1.7883 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4400 3.8069 1.3862 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3036 3.0953 2.3822 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6561 3.6589 2.5992 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5598 3.7054 1.4165 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8706 2.3768 0.8282 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3659 -5.5391 0.4497 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8749 -6.5004 0.1080 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9676 -5.0615 1.2363 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9270 -7.4696 2.1345 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2164 -7.4818 1.6942 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7115 -5.5572 3.6883 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7157 -5.5550 5.0195 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2794 -7.4276 4.5999 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6698 -7.5564 2.8919 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1691 -5.2828 4.4614 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9951 -4.9445 2.3806 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4002 -5.6002 0.4363 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8840 -7.1664 1.2380 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4855 -7.8764 1.5089 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2808 -7.4778 -0.4731 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5302 -5.3601 -1.0942 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7354 -5.1825 -1.3660 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5338 -7.3503 -2.6710 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2812 -6.8078 -4.6209 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3757 -4.9303 -2.7564 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8601 -5.7715 -4.2070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4622 -4.4693 -5.7236 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7419 -2.2138 -5.2214 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2784 -3.1026 -2.2993 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3756 -1.7956 -2.7670 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6430 -0.9681 -1.8427 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6192 -1.7302 -3.1659 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5856 -0.4912 -4.8739 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3299 0.5842 -3.7006 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6299 2.2867 -4.1428 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9637 1.5063 -2.5618 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0299 4.4320 -2.8756 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2121 4.2338 -3.8371 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2167 5.0324 -2.2628 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6486 1.7525 -2.1244 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4929 1.2126 -0.8830 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6031 -0.6070 -2.0835 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9551 -0.0172 -3.6430 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6898 -1.9083 -2.8625 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6536 -0.4848 -2.8833 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9968 -1.8783 -0.4935 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2122 -0.2883 -0.3727 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8808 -2.7550 -1.6368 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1326 -1.1856 -1.2745 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2777 -3.1881 0.8607 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5405 -2.4603 2.2554 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8339 -0.4066 0.0136 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6189 -1.3629 0.8744 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8202 0.4896 2.1294 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1823 1.0726 3.6727 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5904 -0.6646 3.9576 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5609 -1.0532 2.2506 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3412 1.5965 3.6925 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8784 2.0186 1.9113 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8112 -0.6626 0.7263 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4278 0.0073 0.6300 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9361 1.5199 -0.4906 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4677 2.0926 -2.2432 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6923 0.5846 -0.6330 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7932 1.9921 -1.7262 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0210 0.8826 -3.6326 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7061 -0.6447 -2.7931 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7880 -0.8374 -3.9280 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4658 0.6679 -3.1313 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3593 -1.3188 -2.0296 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2889 -0.5370 -0.8782 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0428 -3.1339 -2.2167 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4847 -2.6693 -0.5948 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4445 -2.3115 -2.0227 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4893 3.8131 1.4829 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8823 5.4604 1.5553 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3004 2.7758 1.5152 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5655 3.8992 2.8479 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6444 4.0274 2.1511 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2507 4.3885 0.4607 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6433 6.0584 2.9842 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2014 6.5971 1.3040 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1855 7.6903 2.0741 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6274 6.6256 0.7106 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0420 6.0285 3.7138 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4269 4.9006 2.3940 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9929 6.6232 1.4572 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4772 7.7213 2.8090 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2660 6.0268 4.5408 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2434 4.9644 3.9707 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3042 5.7145 1.8408 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7155 5.8210 1.0206 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8355 3.7791 0.3633 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4337 3.3396 1.4092 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7586 3.0999 3.3492 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4188 2.0286 2.0626 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1560 3.0301 3.3741 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5440 4.6670 3.0894 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1777 4.3792 0.6125 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5257 4.1625 1.7777 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7172 2.3926 -0.2687 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9424 2.1227 0.9936 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2034 1.5755 1.2094 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 2 0 20 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 2 0 27 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 2 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 46 47 1 0 47 48 1 0 48 49 1 0 24 50 1 0 50 51 1 0 51 52 2 0 51 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 57 58 1 0 58 59 1 0 59 60 1 0 60 61 2 0 61 62 1 0 62 63 1 0 63 64 1 0 64 65 1 0 65 66 1 0 66 67 1 0 1 68 1 0 1 69 1 0 1 70 1 0 2 71 1 0 2 72 1 0 3 73 1 0 4 74 1 0 5 75 1 0 5 76 1 0 6 77 1 0 7 78 1 0 8 79 1 0 8 80 1 0 9 81 1 0 10 82 1 0 11 83 1 0 11 84 1 0 12 85 1 0 13 86 1 0 14 87 1 0 14 88 1 0 15 89 1 0 16 90 1 0 17 91 1 0 17 92 1 0 18 93 1 0 18 94 1 0 19 95 1 0 19 96 1 0 23 97 1 0 23 98 1 0 24 99 1 6 25100 1 0 25101 1 0 29102 1 0 29103 1 0 30104 1 0 30105 1 0 31106 1 0 31107 1 0 32108 1 0 32109 1 0 33110 1 0 33111 1 0 34112 1 0 35113 1 0 36114 1 0 36115 1 0 37116 1 0 38117 1 0 39118 1 0 39119 1 0 40120 1 0 41121 1 0 42122 1 0 42123 1 0 43124 1 0 44125 1 0 45126 1 0 45127 1 0 46128 1 0 46129 1 0 47130 1 0 47131 1 0 48132 1 0 48133 1 0 49134 1 0 49135 1 0 49136 1 0 53137 1 0 53138 1 0 54139 1 0 54140 1 0 55141 1 0 55142 1 0 56143 1 0 56144 1 0 57145 1 0 57146 1 0 58147 1 0 58148 1 0 59149 1 0 59150 1 0 60151 1 0 61152 1 0 62153 1 0 62154 1 0 63155 1 0 63156 1 0 64157 1 0 64158 1 0 65159 1 0 65160 1 0 66161 1 0 66162 1 0 67163 1 0 67164 1 0 67165 1 0 M END