HMDB0299166 RDKit 3D DG(20:4(5Z,8Z,11Z,14Z)-OH(17)/i-16:0/0:0) 113112 0 0 0 0 0 0 0 0999 V2000 13.0583 -0.1704 2.1083 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3879 0.3027 0.7173 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7358 -0.8866 -0.1470 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6239 -1.8910 -0.2650 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1215 -2.9211 -1.0980 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4230 -1.3229 -1.0125 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4118 -2.3753 -1.0611 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2358 -2.2497 -0.5285 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7940 -1.0419 0.1815 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6089 -0.5170 -0.5316 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4370 -0.3825 0.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1723 -0.7317 1.4141 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8082 0.2679 2.3984 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7062 1.5295 2.2865 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9220 2.3915 1.1274 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6758 3.1566 0.8873 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0172 3.1592 -0.2272 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3708 2.4361 -1.4220 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4458 1.4069 -1.9482 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0965 1.7954 -2.4008 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2239 2.4039 -1.4076 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8948 3.6281 -1.5126 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7304 1.6819 -0.3296 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0911 2.3421 0.5945 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5407 1.3605 1.6479 C 0 0 2 0 0 0 0 0 0 0 0 0 0.6464 0.7440 2.3713 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4122 0.0015 1.4580 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3224 0.3181 1.0931 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6271 0.1643 1.5597 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0987 0.9094 2.4393 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4631 -0.9125 0.9866 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8185 -0.8364 1.6490 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7175 -1.8914 1.0956 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8707 -1.6939 -0.3936 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4284 -0.3309 -0.6981 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6416 -0.0567 -2.1533 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6274 -1.0000 -2.8100 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9862 -0.9179 -2.1221 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5023 0.4735 -2.1889 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8724 0.6195 -1.5162 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8198 0.2327 -0.0878 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0413 0.3968 0.7226 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.2567 -0.3492 0.3178 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.7897 0.0024 -1.0186 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.3322 -0.1868 1.3970 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8942 -0.7702 2.4903 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9964 0.7302 2.7635 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0823 -0.7203 2.1025 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6064 0.9362 0.2929 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3439 0.8979 0.7978 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6000 -1.4126 0.3185 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0253 -0.5710 -1.1664 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3516 -2.2748 0.7292 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8711 -3.7934 -0.7226 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1455 -0.3316 -0.7151 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8393 -1.1857 -2.0773 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6766 -3.3248 -1.5832 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5117 -3.0685 -0.5929 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5741 -0.2519 0.3013 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5982 -1.3594 1.2326 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7546 -0.2328 -1.5980 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6285 -0.0137 -0.6407 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8618 -1.5124 1.8333 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1939 -1.3894 1.3389 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5666 -0.1094 3.4620 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3968 2.1562 3.2044 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6996 3.1709 1.4892 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3767 1.9842 0.2465 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3015 3.7694 1.7554 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1132 3.7924 -0.2413 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4223 2.0818 -1.4903 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3913 3.2519 -2.2700 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3674 0.5279 -1.2214 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9407 0.8965 -2.8431 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1213 2.4026 -3.3583 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5855 0.8382 -2.7535 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9571 2.7893 0.0758 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4215 3.2013 1.0992 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1517 1.8890 2.3987 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2341 -0.0145 3.0944 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2482 1.4680 2.9221 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9667 -0.8618 1.3085 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9605 -1.8710 1.2315 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5181 -0.7324 -0.0988 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7189 -1.0254 2.7473 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2208 0.1934 1.5834 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1982 -2.8801 1.2418 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7134 -1.9089 1.5897 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9307 -1.9264 -0.9108 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5946 -2.4991 -0.7197 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7876 0.4845 -0.3033 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4061 -0.2419 -0.1943 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9203 1.0003 -2.2789 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6924 -0.1762 -2.7427 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7684 -0.6810 -3.8483 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2613 -2.0266 -2.7329 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6579 -1.5910 -2.6723 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9016 -1.3022 -1.0804 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6324 0.7626 -3.2406 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8438 1.2275 -1.7145 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1899 1.6456 -1.6799 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5085 -0.0964 -2.0890 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9443 0.7345 0.4418 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5204 -0.8640 -0.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2365 1.5097 0.7832 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8291 0.1245 1.8108 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0063 -1.4588 0.2993 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.9330 0.0842 -0.8778 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4284 0.9835 -1.3748 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6449 -0.8209 -1.7288 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.9185 -1.1259 1.4719 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8382 0.0424 2.3620 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.9874 0.6629 1.1358 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 4 6 1 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 2 0 21 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 25 28 1 0 28 29 1 0 29 30 2 0 29 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 1 0 42 43 1 0 43 44 1 0 43 45 1 0 1 46 1 0 1 47 1 0 1 48 1 0 2 49 1 0 2 50 1 0 3 51 1 0 3 52 1 0 4 53 1 0 5 54 1 0 6 55 1 0 6 56 1 0 7 57 1 0 8 58 1 0 9 59 1 0 9 60 1 0 10 61 1 0 11 62 1 0 12 63 1 0 12 64 1 0 13 65 1 0 14 66 1 0 15 67 1 0 15 68 1 0 16 69 1 0 17 70 1 0 18 71 1 0 18 72 1 0 19 73 1 0 19 74 1 0 20 75 1 0 20 76 1 0 24 77 1 0 24 78 1 0 25 79 1 1 26 80 1 0 26 81 1 0 27 82 1 0 31 83 1 0 31 84 1 0 32 85 1 0 32 86 1 0 33 87 1 0 33 88 1 0 34 89 1 0 34 90 1 0 35 91 1 0 35 92 1 0 36 93 1 0 36 94 1 0 37 95 1 0 37 96 1 0 38 97 1 0 38 98 1 0 39 99 1 0 39100 1 0 40101 1 0 40102 1 0 41103 1 0 41104 1 0 42105 1 0 42106 1 0 43107 1 0 44108 1 0 44109 1 0 44110 1 0 45111 1 0 45112 1 0 45113 1 0 M END