HMDB0295397 RDKit 3D DG(16:0/0:0/20:3(5Z,8Z,14Z)-O(11S,12R)) 113113 0 0 0 0 0 0 0 0999 V2000 16.6434 0.7305 -1.4858 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2082 1.0794 -1.9015 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3103 -0.1269 -1.5939 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3718 -0.4254 -0.1103 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4982 -1.6096 0.2449 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5036 -1.9743 1.6439 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4964 -1.9446 2.4523 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1373 -1.5332 2.1612 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7356 -0.9678 0.8704 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2559 0.2328 0.3802 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0397 0.3986 0.9690 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8633 0.6567 0.0826 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3758 1.9993 0.3343 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2460 2.4204 0.7898 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0571 1.6462 1.2206 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2124 0.2359 1.1771 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5325 -0.6509 0.5443 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4033 -0.6499 -0.3203 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5808 0.5177 -0.6107 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7667 1.0566 0.5106 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7992 -0.0260 0.9461 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1845 -1.0163 1.6014 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4402 0.0441 0.6333 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4090 -1.0004 1.0797 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8249 -0.6313 0.6148 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.7997 -0.5656 -0.7610 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2007 0.6868 1.2068 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4449 1.2023 0.9219 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9321 1.5383 -0.2886 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2458 1.3995 -1.3228 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3239 2.0881 -0.3937 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7302 2.1224 -1.8247 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7883 0.7457 -2.4223 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7868 -0.1433 -1.6876 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1289 0.4910 -1.7881 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2340 -0.3099 -1.0616 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3614 -1.6639 -1.6250 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3198 -2.6266 -1.0804 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7691 -2.4013 -1.1079 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3705 -1.2553 -0.3828 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.9070 -1.3687 -0.5810 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.6076 -0.2385 0.1096 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.3759 -0.1919 1.5818 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.1187 0.9739 2.2301 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.6864 2.2921 1.6798 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3631 1.4201 -1.9680 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9084 -0.3051 -1.7556 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7655 0.9236 -0.3780 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2308 1.2922 -2.9738 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9186 1.9350 -1.2594 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6019 -0.9920 -2.2056 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2742 0.1991 -1.8393 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4084 -0.6366 0.1444 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9900 0.5123 0.3941 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6067 -1.7566 -0.3578 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1644 -2.4807 -0.2371 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4763 -2.3292 2.1167 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7032 -2.2861 3.5321 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6882 -0.9486 3.0389 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5120 -2.4987 2.2696 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2299 -1.6421 0.1369 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0554 0.9171 1.9417 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1841 -0.1594 -0.0813 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3518 0.7451 -0.9847 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1241 2.8128 0.0905 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1198 3.5506 0.8854 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8196 2.0333 2.2818 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2354 2.1068 0.6105 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0445 -0.1689 1.8345 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9407 -1.7390 0.7131 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7090 -1.5389 -0.0132 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7681 -1.1121 -1.3356 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1002 1.3315 -1.1874 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8308 0.1588 -1.4298 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1633 1.9191 0.0981 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2613 1.3534 1.4220 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4286 -1.0719 2.1708 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1345 -1.9543 0.5785 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5384 -1.4368 0.9078 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1633 -1.2129 -1.1563 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4412 1.4873 0.9181 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1251 0.6573 2.3436 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9639 1.4541 0.2401 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2997 3.1270 0.0470 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6720 2.6861 -1.9853 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9613 2.6809 -2.4422 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8077 0.2663 -2.4491 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1160 0.8900 -3.4867 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4930 -0.2842 -0.6353 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7217 -1.1427 -2.2060 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0926 1.4714 -1.2399 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4016 0.6866 -2.8302 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9633 -0.2679 0.0054 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1250 0.3269 -1.2242 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5815 -1.5765 -2.7438 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3299 -2.1617 -1.6606 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0296 -2.9465 -0.0166 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1564 -3.6348 -1.6254 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1324 -2.4000 -2.1954 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2863 -3.3273 -0.6992 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1245 -0.2569 -0.7793 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1928 -1.2619 0.6931 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2696 -2.3324 -0.1659 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1217 -1.3518 -1.6541 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.7134 -0.3800 -0.0478 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.3406 0.7423 -0.3503 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3039 -0.0256 1.8106 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.7507 -1.1381 2.0345 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.0155 0.9427 3.3202 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.2134 0.8683 1.9908 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6334 2.3590 1.3893 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.8811 3.0588 2.4814 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.3202 2.6061 0.8009 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 6 7 2 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 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 44 45 1 0 11 9 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 4 54 1 0 5 55 1 0 5 56 1 0 6 57 1 0 7 58 1 0 8 59 1 0 8 60 1 0 9 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 43108 1 0 44109 1 0 44110 1 0 45111 1 0 45112 1 0 45113 1 0 M END