HMDB0299988 RDKit 3D DG(20:4(5Z,8Z,11Z,14Z)-OH(19S)/i-20:0/0:0) 125124 0 0 0 0 0 0 0 0999 V2000 -18.0036 -1.3871 0.2360 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.2566 -0.0493 -0.0328 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.0386 0.5407 1.3266 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.0159 -0.4223 -0.7491 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.0836 0.6261 -1.1829 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.3692 1.4683 -0.2060 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.4280 0.7721 0.7220 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3401 0.0421 -0.0476 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4065 -0.6064 0.9552 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3014 -1.3745 0.2415 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3933 -1.9540 1.3035 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2564 -2.7410 0.6745 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4441 -1.8730 -0.2563 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8242 -0.6803 0.3743 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8453 -0.9621 1.4761 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2625 0.2424 2.0985 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5134 1.1816 1.2348 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3115 0.6145 0.5346 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6460 1.7303 -0.2897 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4568 1.1802 -0.9686 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4837 0.1481 -1.6721 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2683 1.8522 -0.8019 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9306 1.3711 -1.4364 C 0 0 1 0 0 0 0 0 0 0 0 0 1.3879 2.4683 -2.3198 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6577 3.6531 -1.6432 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8167 0.8829 -0.3532 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0020 0.3379 -0.7373 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1173 0.9477 -1.2236 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2106 2.1865 -1.3740 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3161 0.1069 -1.6054 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5324 0.8887 -1.9258 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0599 1.7068 -0.7666 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3917 0.7894 0.3217 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5784 0.6483 0.8372 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7749 1.3961 0.3997 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2785 2.1536 1.5660 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4500 1.9415 2.0477 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4778 0.9643 1.5946 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9054 0.1219 2.7226 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8632 -1.1452 2.8598 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3848 -2.1759 1.9674 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7712 -1.8597 0.6955 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2680 -2.2333 -0.4521 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4719 -2.9994 -0.7540 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3420 -2.2063 -1.6954 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8677 -0.9480 -1.1487 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8550 -1.0388 -0.0294 C 0 0 1 0 0 0 0 0 0 0 0 0 16.2280 0.4007 0.3589 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4168 -1.6913 1.0659 O 0 0 0 0 0 0 0 0 0 0 0 0 -18.7443 -1.2487 1.0267 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.2155 -2.0770 0.5734 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.4282 -1.7285 -0.7245 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.9341 0.6109 -0.6355 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.9105 0.2683 2.0055 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.9902 1.6425 1.3505 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.1442 0.0883 1.7802 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.5059 -1.2426 -0.1562 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.3103 -0.9922 -1.7001 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.3394 0.2281 -1.9604 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.6870 1.3468 -1.8376 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.9888 2.1688 0.3705 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6977 2.1614 -0.8358 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9021 1.5880 1.3001 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8857 0.1332 1.4826 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7608 -0.6738 -0.7711 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7326 0.7948 -0.6000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9732 0.2282 1.5623 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9786 -1.2473 1.6251 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7739 -2.1630 -0.3800 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6783 -0.7035 -0.3770 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0262 -1.1064 1.9077 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9972 -2.6730 1.8936 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6234 -3.2304 1.4352 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7196 -3.5408 0.0642 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9997 -1.5712 -1.1518 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5979 -2.5258 -0.6240 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6375 0.0022 0.6830 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2696 -0.1382 -0.4258 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0399 -1.6447 1.1415 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3984 -1.5190 2.2662 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0096 0.8550 2.6762 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5443 -0.0926 2.9078 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1784 1.7431 0.5138 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1212 2.0029 1.9043 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5251 -0.2466 -0.1101 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5307 0.2964 1.2580 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4477 2.6214 0.3002 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4169 1.9657 -1.0784 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6020 0.4859 -2.0524 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5000 2.7105 -3.0198 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1728 2.1259 -3.0066 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4476 4.4094 -2.2456 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2480 0.2020 0.3513 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0271 1.7799 0.3229 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4977 -0.6109 -0.7824 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0332 -0.4513 -2.5476 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3292 0.1911 -2.2820 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3488 1.6094 -2.7633 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8010 2.4369 -1.0707 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1996 2.3387 -0.3668 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5702 0.1865 0.7262 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6768 -0.0870 1.6605 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4806 0.7285 -0.0801 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4981 2.1929 -0.3606 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6359 2.9226 2.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7750 2.5475 2.9186 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3909 1.6407 1.3805 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2978 0.4827 0.6521 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3501 0.6793 3.6275 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2682 -1.5936 3.8558 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5958 -2.8196 2.5384 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1738 -2.9885 1.8078 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7871 -1.3004 0.6964 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6794 -1.9170 -1.3431 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1029 -3.2913 0.0883 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1086 -3.9493 -1.2740 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7202 -1.9779 -2.6072 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1854 -2.8894 -2.0432 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3080 -0.3340 -1.9943 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0322 -0.3004 -0.7838 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8057 -1.5511 -0.3753 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6444 1.1303 -0.2239 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3155 0.5702 0.2210 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9925 0.5789 1.4347 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6550 -1.2853 1.9355 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 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 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 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 23 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 2 0 34 35 1 0 35 36 1 0 36 37 2 0 37 38 1 0 38 39 1 0 39 40 2 0 40 41 1 0 41 42 1 0 42 43 2 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 47 49 1 0 1 50 1 0 1 51 1 0 1 52 1 0 2 53 1 0 3 54 1 0 3 55 1 0 3 56 1 0 4 57 1 0 4 58 1 0 5 59 1 0 5 60 1 0 6 61 1 0 6 62 1 0 7 63 1 0 7 64 1 0 8 65 1 0 8 66 1 0 9 67 1 0 9 68 1 0 10 69 1 0 10 70 1 0 11 71 1 0 11 72 1 0 12 73 1 0 12 74 1 0 13 75 1 0 13 76 1 0 14 77 1 0 14 78 1 0 15 79 1 0 15 80 1 0 16 81 1 0 16 82 1 0 17 83 1 0 17 84 1 0 18 85 1 0 18 86 1 0 19 87 1 0 19 88 1 0 23 89 1 6 24 90 1 0 24 91 1 0 25 92 1 0 26 93 1 0 26 94 1 0 30 95 1 0 30 96 1 0 31 97 1 0 31 98 1 0 32 99 1 0 32100 1 0 33101 1 0 34102 1 0 35103 1 0 35104 1 0 36105 1 0 37106 1 0 38107 1 0 38108 1 0 39109 1 0 40110 1 0 41111 1 0 41112 1 0 42113 1 0 43114 1 0 44115 1 0 44116 1 0 45117 1 0 45118 1 0 46119 1 0 46120 1 0 47121 1 6 48122 1 0 48123 1 0 48124 1 0 49125 1 0 M END