HMDB0297001 RDKit 3D DG(2:0/0:0/20:4(6E,8Z,11Z,13E)-2OH(5S,15S)) 72 71 0 0 0 0 0 0 0 0999 V2000 -10.6020 1.7874 0.7192 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3588 2.4787 1.2157 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1224 1.5925 0.9782 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9501 1.3002 -0.4736 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7836 0.4628 -0.8452 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7333 -0.9033 -0.2588 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.6961 -0.8627 1.1338 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5549 -1.6847 -0.6944 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5664 -1.2086 -1.4472 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4370 -1.9945 -1.8527 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4587 -1.5398 -2.5956 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4254 -0.1829 -3.0849 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3963 0.7619 -2.7074 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4288 0.6161 -1.8819 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1366 -0.5486 -1.1128 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9176 -0.5924 -0.2868 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2278 -1.7907 0.5118 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0617 -2.5363 0.7915 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8119 -1.3554 1.8302 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0680 -0.5600 1.7105 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1773 -1.2993 1.0162 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3860 -0.4189 0.9506 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3319 0.7057 1.4499 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4950 -0.9021 0.3397 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7324 -0.2324 0.1850 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3958 0.0343 1.4872 C 0 0 2 0 0 0 0 0 0 0 0 0 7.6866 0.9124 2.2710 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8558 0.3086 1.4276 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2527 1.5192 0.9467 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1820 2.0204 -0.3142 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6872 3.4056 -0.5453 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7246 1.3908 -1.2706 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.8696 2.1455 -0.3007 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4535 1.8741 1.4271 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3746 0.7099 0.6056 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1779 3.4635 0.7671 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4827 2.6410 2.3063 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3263 0.6893 1.5898 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2600 2.1917 1.3335 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8842 0.7481 -0.7989 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9981 2.2434 -1.0777 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8590 1.0665 -0.6020 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7491 0.3468 -1.9654 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6915 -1.4082 -0.5496 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8531 -0.4377 1.4312 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4697 -2.7164 -0.3911 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6690 -0.1832 -1.7282 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4039 -3.0554 -1.5069 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6457 -2.2733 -2.8903 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3597 -0.3329 -4.2625 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4501 0.3099 -3.0659 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4178 1.7948 -3.1961 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2787 1.4952 -1.7340 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7250 -1.4266 -1.1188 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5315 0.2873 -0.2304 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9246 -2.4898 0.0340 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2283 -3.0628 0.0003 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0820 -0.7295 2.4129 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0017 -2.2345 2.5050 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8810 0.4346 1.2853 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4302 -0.3893 2.7622 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4853 -2.2073 1.5602 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8480 -1.5974 0.0141 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4277 0.7538 -0.3225 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3382 -0.8302 -0.4978 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3169 -0.9656 2.0905 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2035 1.1861 3.0711 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3083 0.1271 2.4499 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3540 -0.5070 0.7961 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8081 3.3038 -0.6442 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4923 4.0422 0.3270 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2931 3.8555 -1.4795 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 1 0 6 8 1 0 8 9 2 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 2 0 16 17 1 0 17 18 1 0 17 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 22 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 26 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 30 32 2 0 1 33 1 0 1 34 1 0 1 35 1 0 2 36 1 0 2 37 1 0 3 38 1 0 3 39 1 0 4 40 1 0 4 41 1 0 5 42 1 0 5 43 1 0 6 44 1 1 7 45 1 0 8 46 1 0 9 47 1 0 10 48 1 0 11 49 1 0 12 50 1 0 12 51 1 0 13 52 1 0 14 53 1 0 15 54 1 0 16 55 1 0 17 56 1 6 18 57 1 0 19 58 1 0 19 59 1 0 20 60 1 0 20 61 1 0 21 62 1 0 21 63 1 0 25 64 1 0 25 65 1 0 26 66 1 1 27 67 1 0 28 68 1 0 28 69 1 0 31 70 1 0 31 71 1 0 31 72 1 0 M END