HMDB0299462 RDKit 3D DG(i-17:0/0:0/18:1(12Z)-O(9S,10R)) 114114 0 0 0 0 0 0 0 0999 V2000 16.8130 -0.6513 0.2926 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5619 -0.8515 -0.5407 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6579 0.3422 -0.3462 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3989 0.1675 -1.1719 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5239 1.4061 -0.9458 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2834 1.3334 -1.7221 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0984 1.3444 -1.1763 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8643 1.4297 0.2789 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0902 2.6862 0.5570 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7170 3.0213 1.8656 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7221 2.8560 0.8267 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6859 1.8671 1.2752 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9432 1.2323 2.5985 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9531 0.2630 3.1184 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7276 -1.0265 2.4537 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3011 -1.1339 1.0573 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0309 -0.3954 0.7900 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7036 -0.5784 -0.6784 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4877 0.1635 -1.0058 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5674 1.4120 -1.2799 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2006 -0.3975 -1.0487 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1155 0.4601 -1.4008 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1607 -0.3322 -1.3865 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.4293 -0.8459 -0.0983 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9475 -1.4998 -2.3465 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0643 -2.3263 -2.4792 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2992 -1.9108 -3.0102 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3455 -0.6998 -3.3825 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3682 -2.8822 -3.0803 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9787 -3.3032 -1.8301 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6843 -2.3222 -0.9384 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9037 -1.2494 -0.3443 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5286 -0.3635 0.6429 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6703 0.4900 0.5122 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0802 0.1737 0.3950 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6473 -0.6300 -0.6760 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1856 -0.6948 -0.6179 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5994 -1.3209 0.6603 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1167 -1.4426 0.7749 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7995 -0.0997 0.7069 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3634 0.8230 1.8070 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.1259 2.1356 1.6273 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.6018 1.8311 1.7171 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7734 2.6886 0.2589 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8246 -1.3847 1.1178 H 0 0 0 0 0 0 0 0 0 0 0 0 17.7026 -0.8400 -0.3480 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8819 0.3756 0.6980 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8071 -0.9038 -1.6387 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9991 -1.7481 -0.2532 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1482 1.2938 -0.6525 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3444 0.4142 0.7159 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8983 -0.7544 -0.8469 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6154 0.1518 -2.2590 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4637 1.7060 0.0853 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1458 2.2301 -1.4407 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3387 1.2647 -2.8422 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1821 1.2896 -1.7933 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3111 0.5117 0.6468 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7603 1.4608 0.9130 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6245 3.5755 0.0693 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2486 3.8467 0.5273 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6965 2.4356 1.4219 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4240 1.1601 0.4681 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0792 2.0299 3.3861 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9214 0.6571 2.5121 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9640 0.7883 3.3607 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2905 -0.0086 4.1878 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6988 -1.6379 2.5639 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0287 -1.6803 3.1038 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0388 -2.2734 0.9195 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1205 -0.9678 0.3460 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2216 -0.9179 1.3469 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1130 0.6621 1.0314 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6453 -1.6566 -0.8798 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5500 -0.1171 -1.2411 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0459 1.3376 -0.7355 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2472 0.8268 -2.4488 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0228 0.2412 -1.7402 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7389 -0.4558 0.5153 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1481 -2.1246 -1.8697 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6428 -1.1443 -3.3427 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1260 -2.6188 -3.8860 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9017 -3.8267 -3.5393 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6927 -4.1607 -2.0736 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1776 -3.8568 -1.2313 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4777 -1.9039 -1.6612 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2595 -2.8863 -0.1862 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4406 -0.5510 -1.1137 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9993 -1.7467 0.1881 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6737 0.3238 1.0988 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7095 -0.9781 1.6309 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6430 1.3052 1.3746 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3993 1.2526 -0.3514 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6414 1.1759 0.3829 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4029 -0.2505 1.4141 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3614 -1.7210 -0.4590 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2963 -0.3982 -1.6753 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4625 -1.2936 -1.5138 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6094 0.3191 -0.7861 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2256 -2.3730 0.6584 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2142 -0.8578 1.5783 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5023 -2.1510 0.0317 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3119 -1.8660 1.7804 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8876 -0.2948 0.7908 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6247 0.4253 -0.2545 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2818 1.0967 1.6563 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5037 0.4046 2.8074 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8235 2.8338 2.4136 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.1521 2.7507 1.9924 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.0083 1.4166 0.7777 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.7662 1.0983 2.5448 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7006 3.8128 0.2791 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7769 2.3284 -0.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5497 2.3782 -0.4874 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 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 2 0 19 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 23 25 1 0 25 26 1 0 26 27 1 0 27 28 2 0 27 29 1 0 29 30 1 0 30 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 11 9 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 0 5 55 1 0 6 56 1 0 7 57 1 0 8 58 1 0 8 59 1 0 9 60 1 0 11 61 1 0 12 62 1 0 12 63 1 0 13 64 1 0 13 65 1 0 14 66 1 0 14 67 1 0 15 68 1 0 15 69 1 0 16 70 1 0 16 71 1 0 17 72 1 0 17 73 1 0 18 74 1 0 18 75 1 0 22 76 1 0 22 77 1 0 23 78 1 6 24 79 1 0 25 80 1 0 25 81 1 0 29 82 1 0 29 83 1 0 30 84 1 0 30 85 1 0 31 86 1 0 31 87 1 0 32 88 1 0 32 89 1 0 33 90 1 0 33 91 1 0 34 92 1 0 34 93 1 0 35 94 1 0 35 95 1 0 36 96 1 0 36 97 1 0 37 98 1 0 37 99 1 0 38100 1 0 38101 1 0 39102 1 0 39103 1 0 40104 1 0 40105 1 0 41106 1 0 41107 1 0 42108 1 0 43109 1 0 43110 1 0 43111 1 0 44112 1 0 44113 1 0 44114 1 0 M END