HMDB0298961 RDKit 3D DG(i-15:0/20:4(5Z,8Z,11Z,14Z)-OH(16R)/0:0) 110109 0 0 0 0 0 0 0 0999 V2000 15.0626 0.0129 2.1667 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3055 -1.2905 2.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9846 -1.0215 1.3451 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1439 -2.2602 1.1440 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8423 -1.7199 0.4619 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3080 -0.8087 1.3564 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2591 -1.1303 -0.8035 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6195 -0.2282 -1.4729 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3321 0.3772 -1.0762 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3798 0.1398 -2.1756 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2477 -0.4651 -2.0912 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5459 -1.0849 -0.9918 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0899 -1.1985 0.3250 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6608 -0.6494 1.4299 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4738 0.2326 1.4880 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4323 -0.2840 2.3700 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1983 -0.5556 2.0192 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6983 -0.3728 0.6674 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1135 -1.6205 0.0228 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9089 -2.0982 0.8364 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0665 -0.9317 0.8789 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5476 -0.4844 1.9334 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4501 -0.3155 -0.3004 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3131 0.7621 -0.2868 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.5153 2.0034 -0.7189 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0240 1.8570 -1.9920 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5131 0.6923 -1.1750 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1939 1.9184 -1.0525 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7305 2.4621 0.0700 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6405 1.8210 1.1606 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4074 3.7688 0.0741 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3186 3.9600 -1.0889 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4897 3.0410 -1.1951 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1976 1.6007 -1.3312 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5258 0.8037 -1.3813 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3243 1.1834 -2.5388 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6052 0.5192 -2.8328 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7562 0.5768 -1.9342 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6759 -0.0460 -0.5820 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0125 0.1183 0.1616 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9658 -0.4615 1.5100 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6980 -1.8972 1.6900 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7675 -2.7324 0.9665 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3463 -2.4284 1.4624 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9889 0.5590 1.2038 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5032 0.5908 2.9557 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1154 -0.1102 2.4349 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9429 -1.9797 1.4462 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1622 -1.7662 3.0215 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3897 -0.3295 1.9735 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1768 -0.5089 0.3888 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8228 -2.7116 2.0948 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5668 -2.9756 0.4405 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1759 -2.5893 0.3786 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0156 -1.2307 2.1797 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2321 -1.4790 -1.2711 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0854 0.1209 -2.4336 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0156 0.0640 -0.1009 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5535 1.5095 -1.0641 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7302 0.5532 -3.1769 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7043 -0.5081 -3.1058 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5135 -0.5979 -0.9405 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2418 -2.1476 -1.3894 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9696 -1.8688 0.4615 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1598 -0.8084 2.4002 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1548 0.6501 0.5286 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8854 1.1765 2.0254 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7209 -0.4550 3.4211 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5191 -0.9358 2.7726 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4013 0.0408 -0.0766 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8316 0.3676 0.6340 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7302 -1.3766 -0.9855 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8078 -2.4540 -0.0615 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1524 -2.4572 1.8263 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3957 -2.8705 0.2454 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5818 0.9722 0.7723 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1683 2.9031 -0.6546 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3264 2.1942 -0.0186 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2505 2.6363 -2.5671 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1422 0.6571 -2.2405 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2012 -0.1494 -0.9571 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6762 4.6121 0.0827 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9916 3.8651 1.0456 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6648 5.0377 -1.0749 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6684 3.9117 -2.0062 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1420 3.2303 -0.2823 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1303 3.4631 -2.0297 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7192 1.2043 -0.4112 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6000 1.3425 -2.2218 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1950 -0.2550 -1.3983 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9460 1.0280 -0.3711 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4660 2.3138 -2.5889 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6660 1.0192 -3.4653 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3466 -0.5838 -3.0726 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9143 0.8829 -3.8818 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6100 0.0238 -2.4606 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1870 1.6271 -1.8643 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4429 -1.1422 -0.6431 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8981 0.4225 0.0197 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8513 -0.1943 -0.4806 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1071 1.2299 0.2718 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9773 -0.2532 1.9868 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2763 0.1781 2.1299 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9432 -2.1105 2.7918 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7525 -2.2462 1.0362 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3978 -2.8787 -0.0659 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8148 -3.7175 1.4667 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2484 -3.1158 0.5954 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0692 -3.0998 2.3397 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5149 -1.6847 1.4611 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 5 6 1 0 5 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 24 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 42 44 1 0 1 45 1 0 1 46 1 0 1 47 1 0 2 48 1 0 2 49 1 0 3 50 1 0 3 51 1 0 4 52 1 0 4 53 1 0 5 54 1 6 6 55 1 0 7 56 1 0 8 57 1 0 9 58 1 0 9 59 1 0 10 60 1 0 11 61 1 0 12 62 1 0 12 63 1 0 13 64 1 0 14 65 1 0 15 66 1 0 15 67 1 0 16 68 1 0 17 69 1 0 18 70 1 0 18 71 1 0 19 72 1 0 19 73 1 0 20 74 1 0 20 75 1 0 24 76 1 1 25 77 1 0 25 78 1 0 26 79 1 0 27 80 1 0 27 81 1 0 31 82 1 0 31 83 1 0 32 84 1 0 32 85 1 0 33 86 1 0 33 87 1 0 34 88 1 0 34 89 1 0 35 90 1 0 35 91 1 0 36 92 1 0 36 93 1 0 37 94 1 0 37 95 1 0 38 96 1 0 38 97 1 0 39 98 1 0 39 99 1 0 40100 1 0 40101 1 0 41102 1 0 41103 1 0 42104 1 0 43105 1 0 43106 1 0 43107 1 0 44108 1 0 44109 1 0 44110 1 0 M END