HMDB0269890 RDKit 3D PG(20:3(8Z,11Z,14Z)/18:3(10,12,15)-OH(9)) 131130 0 0 0 0 0 0 0 0999 V2000 -17.7602 3.3366 1.1159 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.2902 3.5152 1.3076 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.5480 2.3604 0.7030 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.1927 1.3943 0.1117 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.8083 0.1903 -0.5443 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.4739 -0.3026 -0.7194 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.2860 0.1141 -0.3859 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0827 -0.6737 -0.7392 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8662 -0.2735 -0.4105 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6732 -1.0791 -0.7755 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9016 -2.4353 -0.7873 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.4369 -0.7135 0.0318 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2811 -1.6048 -0.4158 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9398 -1.4894 -1.8233 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4753 -0.3098 -2.5049 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2108 0.3695 -2.3327 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6696 1.0126 -1.1610 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3621 0.3014 0.0914 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4232 -0.8253 -0.0053 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9523 -1.9693 -0.2583 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0677 -0.8354 0.1366 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2946 -2.0268 0.0231 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.6352 -2.4818 1.2463 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2476 -1.5284 1.8081 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8547 -1.8963 3.0028 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5592 -3.0706 3.4254 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7717 -1.1057 3.8300 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1862 -1.4366 3.5178 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5510 -1.0145 2.1346 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0046 -1.4066 1.9081 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2320 -2.8821 1.8960 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7602 -3.1016 1.7399 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1658 -2.3747 0.5243 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0973 -1.4213 0.5918 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7412 -1.0871 1.8787 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5265 0.2603 2.3855 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4904 1.1037 2.6608 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9390 0.8703 2.5134 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5701 1.8860 1.6572 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1885 1.6392 0.5425 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3825 0.3225 -0.0896 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8572 -0.0238 -0.2114 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6577 0.9800 -0.9385 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1900 1.2010 -2.3486 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1285 2.2636 -2.9506 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4671 -1.9829 -1.2052 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3900 -0.9197 -1.2579 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2724 -0.9572 -2.7224 P 0 0 0 0 0 5 0 0 0 0 0 0 1.7508 -2.4038 -2.8497 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3204 -0.6380 -4.0566 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5870 0.0606 -2.6058 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2764 1.3513 -2.2703 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5112 2.2321 -2.1748 C 0 0 1 0 0 0 0 0 0 0 0 0 4.1681 2.2717 -3.3786 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1162 3.6353 -1.7607 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4435 3.5883 -0.5255 O 0 0 0 0 0 0 0 0 0 0 0 0 -18.0556 3.3554 0.0377 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.1389 2.4582 1.6584 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.3010 4.2088 1.5987 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.1059 3.5277 2.4052 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.9357 4.4701 0.8407 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.4800 2.3375 0.7556 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.3395 1.5315 0.1111 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.2171 0.2714 -1.6455 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.5062 -0.6889 -0.2165 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.4362 -1.3061 -1.2910 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1257 1.0048 0.1338 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1563 -1.6016 -1.2771 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7685 0.6530 0.1294 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4184 -0.7749 -1.8294 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3133 -2.6978 -1.6561 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2007 0.3591 0.0282 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6490 -1.0041 1.0806 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5080 -1.5655 0.3125 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7410 -2.6620 -0.2500 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8021 -1.9938 -2.4333 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1349 -2.3013 -2.0119 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2803 0.5254 -2.5245 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5149 -0.5747 -3.6465 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0771 1.1671 -3.1914 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4138 -0.3889 -2.7749 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3789 1.8566 -0.8679 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7425 1.5949 -1.4709 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1931 0.1339 0.7810 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7361 1.0839 0.7043 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0829 -2.8880 -0.1856 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0623 -3.4448 1.0365 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3698 -2.8062 2.0275 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6389 -0.0071 3.6938 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4925 -1.2963 4.8903 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2612 -2.5661 3.5483 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9342 -1.0033 4.2182 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9761 -1.5151 1.3334 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4634 0.0816 1.9781 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6671 -0.9853 2.7027 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3201 -0.8998 0.9725 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7548 -3.4162 1.0557 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9973 -3.3013 2.8963 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9665 -4.1910 1.6844 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1614 -2.7447 2.6809 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6944 -2.6264 -0.4466 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3460 -0.9163 -0.3444 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8667 -1.1194 1.5886 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7038 -1.8415 2.6621 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4539 0.5821 2.5412 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1362 2.0917 3.0516 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3568 1.1029 3.5703 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2731 -0.1409 2.3456 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4910 2.9284 2.0359 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6140 2.5413 0.0324 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8442 -0.4903 0.4077 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9978 0.3834 -1.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9782 -1.0035 -0.7708 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2808 -0.2442 0.7967 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7305 0.6171 -0.9177 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6955 1.9624 -0.4069 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1493 1.5955 -2.3457 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2552 0.3125 -2.9952 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0309 3.1544 -2.3085 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9325 2.4395 -4.0237 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1845 1.9000 -2.8777 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1190 -2.9364 -1.3169 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1726 -1.8886 -2.0949 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1058 0.2377 -4.0804 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6287 1.8100 -3.0503 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6716 1.3821 -1.3177 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1535 1.7726 -1.4137 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5783 2.7102 -4.0664 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9667 4.3225 -1.7558 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3684 4.0473 -2.5055 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4901 3.3292 -0.7270 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 2 0 9 10 1 0 10 11 1 0 10 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 2 0 19 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 2 0 25 27 1 0 27 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 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 1 0 43 44 1 0 44 45 1 0 22 46 1 0 46 47 1 0 47 48 1 0 48 49 2 0 48 50 1 0 48 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 53 55 1 0 55 56 1 0 1 57 1 0 1 58 1 0 1 59 1 0 2 60 1 0 2 61 1 0 3 62 1 0 4 63 1 0 5 64 1 0 5 65 1 0 6 66 1 0 7 67 1 0 8 68 1 0 9 69 1 0 10 70 1 0 11 71 1 0 12 72 1 0 12 73 1 0 13 74 1 0 13 75 1 0 14 76 1 0 14 77 1 0 15 78 1 0 15 79 1 0 16 80 1 0 16 81 1 0 17 82 1 0 17 83 1 0 18 84 1 0 18 85 1 0 22 86 1 6 23 87 1 0 23 88 1 0 27 89 1 0 27 90 1 0 28 91 1 0 28 92 1 0 29 93 1 0 29 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 42114 1 0 43115 1 0 43116 1 0 44117 1 0 44118 1 0 45119 1 0 45120 1 0 45121 1 0 46122 1 0 46123 1 0 50124 1 0 52125 1 0 52126 1 0 53127 1 1 54128 1 0 55129 1 0 55130 1 0 56131 1 0 M END