HMDB0298547 RDKit 3D DG(i-13:0/0:0/20:4(5Z,8Z,11Z,14Z)-OH(16R)) 104103 0 0 0 0 0 0 0 0999 V2000 15.4976 -1.9233 0.0841 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4923 -1.2497 1.4363 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1905 -0.5074 1.6634 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0072 -1.4553 1.6074 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7549 -0.6125 1.8342 C 0 0 2 0 0 0 0 0 0 0 0 0 11.9526 -0.0481 3.1244 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5191 -1.3759 1.8658 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8107 -1.5959 0.7682 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1775 -1.1193 -0.5214 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4488 -0.2281 -1.3580 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3426 0.3927 -1.1788 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5278 0.3060 0.0463 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3826 1.7248 0.5382 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2296 2.2890 0.6051 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9826 1.6013 0.2059 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1011 1.5386 1.3725 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9260 2.1033 1.3625 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3936 2.8249 0.2427 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1023 2.1658 -0.2687 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4698 0.7564 -0.6639 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2783 0.0826 -1.2074 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3023 -1.1365 -1.4328 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8598 0.7916 -1.4715 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0521 0.3325 -1.9828 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8154 -0.6845 -1.2207 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.1595 -1.8854 -0.9869 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0215 -1.0455 -2.1188 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7484 0.0936 -2.4485 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4143 0.9457 -1.5956 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3836 0.6738 -0.3767 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1444 2.1432 -2.0644 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8695 2.7810 -0.9175 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9229 1.8885 -0.3112 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9675 1.4955 -1.3131 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0743 0.6376 -0.7681 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5228 -0.6391 -0.2089 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6194 -1.5309 0.2987 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4141 -0.8600 1.3839 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5172 -1.7176 1.9510 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.4947 -2.0996 0.8718 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.0873 -0.8256 0.2754 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.6165 -2.9447 1.4541 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2304 -2.9809 0.1741 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8431 -1.3620 -0.6213 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5349 -1.8460 -0.3116 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3448 -0.5501 1.5294 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5935 -2.0469 2.2154 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2214 -0.0055 2.6378 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0703 0.2649 0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0986 -2.1234 2.4943 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9195 -1.9905 0.6692 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7770 0.2704 1.1646 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4128 0.8051 3.0940 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1651 -1.7817 2.8320 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8969 -2.2278 0.9133 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2806 -0.7431 -0.4546 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4077 -2.0720 -1.1691 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9461 -0.0312 -2.3793 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9698 1.0521 -2.0219 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1122 -0.1318 0.9257 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6271 -0.2677 -0.0405 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2991 2.2263 0.8219 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1918 3.3358 0.9798 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5979 2.2467 -0.6349 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1111 0.6232 -0.2879 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4973 0.9877 2.2490 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2815 2.0342 2.2661 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9962 3.1564 -0.5757 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9818 3.8139 0.6849 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7103 2.7229 -1.1475 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3253 2.1968 0.5100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8354 0.2604 0.2831 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3191 0.7689 -1.3767 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7306 1.2361 -2.0666 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9800 -0.0309 -3.0401 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2756 -0.2804 -0.2870 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3714 -2.5531 -1.6697 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6170 -1.8610 -1.6586 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5757 -1.4611 -3.0455 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4485 2.8914 -2.5215 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8949 1.9076 -2.8622 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3613 3.7330 -1.2073 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1086 2.9535 -0.1210 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5439 1.0402 0.2492 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4629 2.5288 0.4491 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3935 2.3867 -1.8285 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4925 0.8871 -2.1345 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5339 1.2381 0.0637 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8004 0.4723 -1.5846 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8187 -0.4420 0.6340 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9365 -1.2081 -0.9573 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1746 -2.4742 0.6801 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2715 -1.8306 -0.5566 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7296 -0.5650 2.2151 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8464 0.1002 0.9935 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0707 -2.6235 2.4166 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0450 -1.1640 2.7565 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9736 -2.6674 0.0887 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.0120 -1.1165 -0.2937 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3906 -0.3246 -0.4184 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.3573 -0.0853 1.0575 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.9548 -2.4263 2.3852 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.4114 -3.0168 0.6897 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1994 -3.9329 1.7129 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 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 40 42 1 0 1 43 1 0 1 44 1 0 1 45 1 0 2 46 1 0 2 47 1 0 3 48 1 0 3 49 1 0 4 50 1 0 4 51 1 0 5 52 1 6 6 53 1 0 7 54 1 0 8 55 1 0 9 56 1 0 9 57 1 0 10 58 1 0 11 59 1 0 12 60 1 0 12 61 1 0 13 62 1 0 14 63 1 0 15 64 1 0 15 65 1 0 16 66 1 0 17 67 1 0 18 68 1 0 18 69 1 0 19 70 1 0 19 71 1 0 20 72 1 0 20 73 1 0 24 74 1 0 24 75 1 0 25 76 1 1 26 77 1 0 27 78 1 0 27 79 1 0 31 80 1 0 31 81 1 0 32 82 1 0 32 83 1 0 33 84 1 0 33 85 1 0 34 86 1 0 34 87 1 0 35 88 1 0 35 89 1 0 36 90 1 0 36 91 1 0 37 92 1 0 37 93 1 0 38 94 1 0 38 95 1 0 39 96 1 0 39 97 1 0 40 98 1 0 41 99 1 0 41100 1 0 41101 1 0 42102 1 0 42103 1 0 42104 1 0 M END