HMDB0116026 RDKit 3D CDP-DG(22:5(7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z)) 157158 0 0 0 0 0 0 0 0999 V2000 -2.0000 -8.5482 2.5788 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0817 -7.4759 2.5303 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1826 -7.8853 1.6610 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6209 -7.2454 0.6169 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0753 -5.9751 0.1169 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6688 -6.0483 -1.2800 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5412 -5.7691 -1.7969 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2637 -5.2943 -1.2952 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9538 -5.0623 0.0738 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0639 -5.6209 0.7417 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0201 -6.5569 0.1570 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1254 -7.8802 0.8076 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2507 -8.3041 1.3022 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5399 -7.5956 1.3021 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5809 -8.3693 0.5894 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2262 -7.9386 -0.4514 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0082 -6.6230 -1.0507 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2126 -5.7492 -1.1619 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9568 -5.4054 0.0583 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2237 -4.7054 1.1444 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5695 -3.4220 0.7602 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9405 -2.8184 1.9562 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2495 -3.2752 3.0860 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0299 -1.7821 1.9406 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4873 -1.2433 3.1382 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4237 -0.2104 2.8080 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8570 0.3569 4.1236 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2761 -0.6506 4.8721 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6434 -0.0503 6.3223 P 0 0 0 0 0 5 0 0 0 0 0 0 1.7192 0.2625 7.3131 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3810 -1.2327 6.9850 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3037 1.3277 6.0607 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5712 2.7562 6.2941 P 0 0 0 0 0 5 0 0 0 0 0 0 -0.1900 3.5688 7.3328 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1225 2.4577 6.8703 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5936 3.5750 4.8245 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8547 4.9289 4.9649 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8569 5.6016 3.6179 C 0 0 1 0 0 0 0 0 0 0 0 0 1.8212 5.0792 2.7697 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4406 5.6007 1.5403 C 0 0 1 0 0 0 0 0 0 0 0 0 2.2088 5.1409 0.4346 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8303 3.9621 0.4604 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5874 3.5041 -0.6217 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6907 4.2966 -1.7434 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4477 3.8813 -2.8769 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0509 5.4821 -1.7387 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3213 5.8976 -0.6657 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7632 7.0213 -0.7613 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0183 5.1602 1.4669 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7165 5.9070 0.5346 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4682 5.4386 2.8987 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.1583 4.3162 3.3567 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3473 -0.7645 2.1352 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7497 -0.3911 0.9756 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1854 0.6064 0.3666 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4146 -1.1440 0.4195 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6585 -0.8804 1.2466 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9360 0.6279 1.1646 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0751 1.0174 1.9644 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1390 1.5574 1.4858 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3383 1.8457 0.0813 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5437 1.0744 -0.3574 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5033 0.1942 -1.2985 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2819 -0.1490 -2.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5411 0.1636 -3.4715 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8388 1.0232 -4.1537 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7471 1.7904 -3.7100 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6434 3.2023 -3.6257 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5363 4.1023 -3.8878 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8654 3.7735 -4.3319 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2325 4.3416 -5.7155 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6512 3.9271 -6.0761 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6175 4.4332 -5.0474 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6427 5.9134 -4.8754 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0436 -8.0699 2.8358 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9436 -9.0604 1.6187 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2974 -9.3164 3.3287 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5785 -6.5447 2.2682 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4142 -7.3384 3.6008 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6797 -8.8613 1.9591 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4806 -7.7237 0.0832 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2306 -5.7021 0.7246 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9155 -5.2291 0.1756 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4761 -6.4030 -1.9946 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5301 -5.9329 -2.9555 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1243 -4.2798 -1.8633 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4583 -5.9099 -1.7923 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5295 -4.3415 0.6885 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1781 -5.3538 1.7951 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0089 -6.0135 0.1446 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7422 -6.7853 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2081 -8.5069 0.8419 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2375 -9.3008 1.7749 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8731 -7.6575 2.4147 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4986 -6.5444 1.1021 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8052 -9.3785 0.9908 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9992 -8.5575 -0.9600 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1495 -6.0515 -0.6839 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7187 -6.8463 -2.1408 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9294 -6.1420 -1.9532 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8612 -4.7784 -1.6328 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8390 -4.7540 -0.2192 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4660 -6.3439 0.4456 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9945 -4.4381 1.9269 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4827 -5.3796 1.6607 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4015 -2.7091 0.4756 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8473 -3.5362 -0.0810 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2719 -0.6985 3.7047 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0395 -2.0332 3.7657 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9141 0.6470 2.3181 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0683 1.0610 3.8052 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6277 0.9323 4.6455 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2393 -1.2095 6.4894 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1626 2.6616 7.8356 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2145 5.4402 5.6966 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9062 5.0294 5.3556 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0555 6.6826 3.7490 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4081 6.7140 1.5713 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7650 3.3340 1.3153 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0867 2.5436 -0.5832 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3027 3.2858 -2.8230 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1474 4.1801 -3.8272 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0292 4.0800 1.2864 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6188 6.1378 0.8609 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0574 6.3532 2.8980 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0851 3.5686 2.7138 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5151 -0.8679 -0.6338 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1327 -2.2218 0.4464 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4006 -1.1654 2.2881 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4692 -1.4822 0.8303 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0221 1.0915 1.6491 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8816 0.8900 0.1285 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9846 0.8183 3.0576 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9462 1.8187 2.1870 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7133 2.9284 0.0498 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5056 1.8439 -0.5862 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4672 1.3280 0.2007 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4416 -0.3282 -1.5554 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3476 0.1947 -1.6399 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1809 -1.2994 -2.0467 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3896 -0.3982 -3.9108 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1796 1.1135 -5.2163 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3383 1.3818 -2.7216 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8397 1.4731 -4.3824 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6311 3.5743 -3.2825 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2831 5.2021 -3.7714 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3259 2.8314 -4.1274 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5394 4.4647 -3.6684 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2338 5.4513 -5.7035 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5006 4.0507 -6.4923 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8773 4.3700 -7.0616 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7721 2.8294 -6.1349 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4466 3.8665 -4.1082 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6439 4.1159 -5.3873 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0012 6.4739 -5.5569 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2697 6.1121 -3.8259 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6884 6.3201 -4.8693 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 1 0 29 30 2 0 29 31 1 0 29 32 1 0 32 33 1 0 33 34 2 0 33 35 1 0 33 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 44 46 2 0 46 47 1 0 47 48 2 0 40 49 1 0 49 50 1 0 49 51 1 0 51 52 1 0 26 53 1 0 53 54 1 0 54 55 2 0 54 56 1 0 56 57 1 0 57 58 1 0 58 59 1 0 59 60 2 0 60 61 1 0 61 62 1 0 62 63 2 0 63 64 1 0 64 65 1 0 65 66 2 0 66 67 1 0 67 68 1 0 68 69 2 0 69 70 1 0 70 71 1 0 71 72 1 0 72 73 1 0 73 74 1 0 51 38 1 0 47 41 1 0 1 75 1 0 1 76 1 0 1 77 1 0 2 78 1 0 2 79 1 0 3 80 1 0 4 81 1 0 5 82 1 0 5 83 1 0 6 84 1 0 7 85 1 0 8 86 1 0 8 87 1 0 9 88 1 0 10 89 1 0 11 90 1 0 11 91 1 0 12 92 1 0 13 93 1 0 14 94 1 0 14 95 1 0 15 96 1 0 16 97 1 0 17 98 1 0 17 99 1 0 18100 1 0 18101 1 0 19102 1 0 19103 1 0 20104 1 0 20105 1 0 21106 1 0 21107 1 0 25108 1 0 25109 1 0 26110 1 6 27111 1 0 27112 1 0 31113 1 0 35114 1 0 37115 1 0 37116 1 0 38117 1 1 40118 1 1 42119 1 0 43120 1 0 45121 1 0 45122 1 0 49123 1 0 50124 1 0 51125 1 6 52126 1 0 56127 1 0 56128 1 0 57129 1 0 57130 1 0 58131 1 0 58132 1 0 59133 1 0 60134 1 0 61135 1 0 61136 1 0 62137 1 0 63138 1 0 64139 1 0 64140 1 0 65141 1 0 66142 1 0 67143 1 0 67144 1 0 68145 1 0 69146 1 0 70147 1 0 70148 1 0 71149 1 0 71150 1 0 72151 1 0 72152 1 0 73153 1 0 73154 1 0 74155 1 0 74156 1 0 74157 1 0 M END