HMDB0299694 RDKit 3D DG(i-18:0/0:0/22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S)) 122121 0 0 0 0 0 0 0 0999 V2000 16.1392 -4.7630 -1.8491 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2291 -3.6217 -2.8704 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8947 -3.3107 -3.3576 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2665 -2.1388 -3.2512 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9146 -0.9949 -2.5915 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1157 -0.4996 -1.3870 C 0 0 1 0 0 0 0 0 0 0 0 0 14.8513 0.5807 -0.8557 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8096 0.0479 -1.8511 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8363 0.2810 -0.9603 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5590 0.8089 -1.3582 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5895 1.0506 -0.5433 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7050 0.8011 0.9149 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4686 2.1450 1.5480 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4798 2.3248 2.3566 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5426 1.3015 2.7195 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5583 1.6145 3.5640 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5507 0.5743 3.9741 C 0 0 1 0 0 0 0 0 0 0 0 0 4.3222 1.1619 4.2149 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5148 -0.5457 3.0266 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0910 -0.3896 1.7831 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6194 0.8886 1.2252 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2045 0.8273 0.7268 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1971 0.4884 1.7986 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8057 0.4365 1.1893 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2647 -0.6933 1.0326 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1844 1.5164 0.8373 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9154 2.0742 0.3073 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3140 1.6977 -1.0480 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.4483 2.4748 -1.4541 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5595 0.2722 -1.3595 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6858 -0.2572 -0.8267 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2442 -0.4985 0.3374 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6571 -0.1975 1.3997 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5904 -1.1316 0.4874 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4529 -0.2896 1.4339 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6565 1.0880 0.8294 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4904 2.0004 1.7234 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6712 3.2922 0.9998 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4828 3.1844 -0.2269 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9193 2.9330 -0.1587 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5510 1.7854 0.4671 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2573 0.4108 -0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6025 0.1498 -1.4556 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0414 0.3876 -1.7477 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9510 -0.4757 -0.8842 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7224 -1.9308 -1.0849 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5088 -2.8832 -0.2826 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.9804 -2.9078 -0.3725 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.6392 -1.6318 0.0523 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.5427 -4.0314 0.5232 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1608 -4.3056 -0.8233 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0415 -5.3987 -1.8916 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2372 -5.3819 -1.9990 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8533 -2.8118 -2.5131 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7916 -4.0945 -3.7438 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3453 -4.1146 -3.8628 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2628 -2.0781 -3.6739 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9612 -1.0936 -2.3563 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8469 -0.1385 -3.3316 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0156 -1.2429 -0.5983 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3604 1.0444 -1.5864 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5839 0.2771 -2.8765 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0539 0.0562 0.0541 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4056 1.0207 -2.4437 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6119 1.4614 -0.9050 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6732 0.4007 1.2346 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9611 0.0453 1.2308 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1756 2.9614 1.2874 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3641 3.3194 2.7819 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5300 0.2733 2.3869 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4915 2.6135 3.9470 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9177 0.2188 4.9641 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0407 1.1199 5.1691 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8382 -1.5325 3.3307 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0957 -1.2792 1.1366 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6643 1.7157 1.9725 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2932 1.1925 0.4046 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0713 0.0963 -0.0993 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9106 1.8188 0.2622 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1524 1.2925 2.5578 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4298 -0.4427 2.3237 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5991 3.2220 0.2107 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7650 2.1497 1.0395 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5350 2.0579 -1.8207 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2320 3.4186 -1.2323 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6388 -0.3616 -1.3451 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7756 0.2952 -2.5169 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5431 -2.1463 0.9237 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0820 -1.1612 -0.5005 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9545 -0.2663 2.4233 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4164 -0.7950 1.5232 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6329 1.5551 0.8332 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0578 0.9674 -0.1697 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9087 2.2243 2.6682 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3999 1.4699 1.9989 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0209 4.1125 1.6827 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6230 3.6317 0.7023 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3684 4.1740 -0.8151 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0329 2.4613 -0.9823 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3879 3.8705 0.3246 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3055 3.0479 -1.2418 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5281 1.8145 1.5784 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7059 1.9712 0.3061 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8633 -0.2879 0.6386 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2196 0.1483 0.1495 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9724 0.8484 -2.0633 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3245 -0.8918 -1.6834 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3494 1.4424 -1.6717 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2174 0.0727 -2.8162 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9790 -0.2452 -1.2768 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8359 -0.2096 0.1815 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6219 -2.1507 -0.8691 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8192 -2.1814 -2.1909 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1213 -3.9267 -0.5387 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1681 -2.7736 0.7973 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.3199 -3.2123 -1.4134 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0213 -0.9601 0.6599 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.0700 -1.0657 -0.8182 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.5603 -1.8740 0.6786 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.5688 -4.9814 -0.0121 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.5528 -3.7177 0.8362 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8730 -4.1673 1.4084 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 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 2 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 2 0 24 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 28 30 1 0 30 31 1 0 31 32 1 0 32 33 2 0 32 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 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 48 50 1 0 1 51 1 0 1 52 1 0 1 53 1 0 2 54 1 0 2 55 1 0 3 56 1 0 4 57 1 0 5 58 1 0 5 59 1 0 6 60 1 1 7 61 1 0 8 62 1 0 9 63 1 0 10 64 1 0 11 65 1 0 12 66 1 0 12 67 1 0 13 68 1 0 14 69 1 0 15 70 1 0 16 71 1 0 17 72 1 1 18 73 1 0 19 74 1 0 20 75 1 0 21 76 1 0 21 77 1 0 22 78 1 0 22 79 1 0 23 80 1 0 23 81 1 0 27 82 1 0 27 83 1 0 28 84 1 6 29 85 1 0 30 86 1 0 30 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 42105 1 0 43106 1 0 43107 1 0 44108 1 0 44109 1 0 45110 1 0 45111 1 0 46112 1 0 46113 1 0 47114 1 0 47115 1 0 48116 1 0 49117 1 0 49118 1 0 49119 1 0 50120 1 0 50121 1 0 50122 1 0 M END