HMDB0299168 RDKit 3D DG(20:4(5Z,8Z,11Z,14Z)-OH(17)/0:0/i-16:0) 113112 0 0 0 0 0 0 0 0999 V2000 14.0227 1.1831 3.3273 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7299 -0.0513 2.4656 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8148 -0.1475 1.4504 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7169 -1.2845 0.4959 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8536 -1.1928 -0.3482 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4877 -1.2109 -0.4124 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5106 0.0052 -1.2133 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5902 0.9079 -1.2172 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3693 0.8306 -0.4031 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3356 1.9980 0.4887 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3860 2.8708 0.4747 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2110 2.8428 -0.4112 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0154 2.7860 0.4583 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1444 1.8285 0.4306 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2559 0.6732 -0.4909 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0327 0.6691 -1.3275 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1581 -0.3248 -1.4154 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3397 -1.5541 -0.6584 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2804 -1.9450 0.3034 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9446 -2.3274 -0.1499 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0829 -1.4287 -0.8859 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0933 -1.4018 -2.1479 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2189 -0.5778 -0.2366 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3116 0.3088 -0.7443 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8790 -0.3153 -1.4044 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.5081 -1.1613 -2.4199 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7535 -1.0183 -0.4228 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9910 -1.4490 -0.8086 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4748 -2.2782 -1.7459 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6394 -2.8462 -2.5274 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9214 -2.5940 -1.9473 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6986 -1.9283 -0.8244 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1707 -2.2461 -0.9590 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9512 -1.6471 0.1507 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8963 -0.1783 0.2199 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3522 0.5906 -0.9402 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6640 0.4402 -1.5358 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9189 0.6478 -0.7767 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1924 -0.2298 0.3695 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5655 0.1069 0.9771 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.6926 -0.1049 0.0425 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.0119 0.1218 0.6601 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.3565 1.4437 1.2268 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.8097 1.3127 1.7421 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.5471 1.9121 2.3875 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2107 1.3345 4.0475 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0792 2.0373 2.6381 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0199 1.0484 3.8074 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7162 0.0358 2.0985 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7374 -0.9667 3.1277 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9491 0.8216 0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7871 -0.2711 2.0034 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6954 -2.2501 1.0045 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5937 -1.6218 -1.2000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6353 -1.4152 0.2134 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6542 -2.0709 -1.1409 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3906 0.1664 -1.8696 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6889 1.8005 -1.8518 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2814 -0.0713 0.2343 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4575 0.7533 -1.0720 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1512 2.1725 1.2215 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4219 3.7320 1.1785 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1358 3.9037 -0.8861 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2299 2.2013 -1.2651 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8625 3.6246 1.1808 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2684 1.8198 1.0933 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3927 -0.2550 0.1128 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1405 0.6949 -1.1562 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8323 1.5730 -1.9295 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3093 -0.1531 -2.0996 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3058 -1.6330 -0.1393 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4002 -2.4454 -1.3992 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7039 -2.8533 0.8642 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2473 -1.1720 1.1363 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9667 -3.3229 -0.7274 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3855 -2.6754 0.7983 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8533 0.9792 -1.4678 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0419 0.9584 0.1221 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4469 0.5806 -1.8472 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3107 -2.0803 -2.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1464 -1.8380 0.0732 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9069 -0.2965 0.4343 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2557 -2.2271 -2.9194 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0905 -3.6859 -1.8218 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4766 -0.8396 -0.9387 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2869 -2.2479 0.1435 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2252 -3.3776 -0.9441 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5475 -1.9605 -1.9702 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9780 -2.0763 0.2486 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4579 -2.0281 1.1089 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7666 0.0589 0.2964 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2259 0.1930 1.2283 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2341 1.6941 -0.6636 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5709 0.5044 -1.7710 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7171 1.2345 -2.3678 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7719 -0.4953 -2.1803 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9641 1.7127 -0.3927 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7687 0.6342 -1.5244 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2933 -1.3095 0.1057 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4925 -0.0536 1.1854 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6636 -0.5364 1.8650 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4413 1.1676 1.2975 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6545 -1.2120 -0.2411 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5886 0.3924 -0.9547 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.1840 -0.6865 1.4432 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.8125 -0.1304 -0.1071 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.4021 2.2482 0.4406 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.2026 0.2889 1.5679 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.8007 1.4891 2.8172 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.4672 2.0616 1.2669 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0799 1.0737 2.9480 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8694 2.7627 2.1800 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.2717 2.3460 3.1527 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 25 27 1 0 27 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 6 26 80 1 0 27 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