HMDB0296939 RDKit 3D DG(2:0/20:3(8Z,11Z,14Z)-2OH(5,6)/0:0) 74 73 0 0 0 0 0 0 0 0999 V2000 -9.6908 1.9848 -1.8729 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0540 0.7109 -2.4210 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1048 0.2008 -1.3487 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9036 -0.0794 -0.0927 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9982 -0.5961 1.0259 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3799 -1.8254 0.5500 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1053 -2.0232 0.4125 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1282 -0.9486 0.7483 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2557 -1.4586 1.8156 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9479 -1.5702 1.7171 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2190 -1.1766 0.4797 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4981 -2.3325 -0.0797 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2046 -2.2922 -0.2265 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6978 -1.1868 0.1054 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6681 -1.6783 1.1385 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1228 -2.1152 2.3111 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7981 -0.6534 1.4041 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2151 -0.3112 0.1009 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2544 0.5485 2.0558 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1145 1.6598 2.4733 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9942 2.3503 1.5195 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1515 1.5861 1.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5782 0.5159 1.5236 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8568 2.0133 -0.1232 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9904 1.2534 -0.6160 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7274 0.7372 -1.9723 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5434 -0.0740 -1.9184 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2211 2.0827 -0.4999 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3762 1.5055 -0.9299 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8941 1.2268 -2.1472 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2285 0.5298 -2.3172 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2617 1.5491 -3.1716 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.9350 2.6464 -2.7318 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6188 1.7723 -1.3167 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9832 2.4909 -1.1572 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8502 -0.0555 -2.5640 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4584 0.9033 -3.3270 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6233 -0.7043 -1.7565 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3042 0.9390 -1.1586 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3852 0.8618 0.2247 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6360 -0.8818 -0.2963 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3965 0.1731 1.4665 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7305 -0.9021 1.8415 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0502 -2.6523 0.2869 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6987 -2.9561 0.0559 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6364 -0.7136 -0.2133 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5791 -0.0004 1.0776 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7426 -1.7602 2.7438 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4134 -1.9616 2.5745 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8104 -0.7041 -0.2944 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4884 -0.3947 0.8110 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0299 -3.2428 -0.3807 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2890 -3.1917 -0.6517 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3429 -1.0241 -0.8350 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2852 -0.2289 0.3558 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1832 -2.5714 0.6727 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7956 -3.0431 2.1916 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5291 -1.1768 1.9983 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6336 0.4238 -0.2119 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3750 0.9873 1.4887 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7397 0.1769 3.0159 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4135 2.4481 2.9212 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7474 1.3715 3.3731 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4529 3.2641 2.0191 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4260 2.8237 0.6603 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0837 0.3695 0.0668 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6588 1.4371 -2.7902 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5084 -0.0362 -2.2074 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6924 -0.6425 -1.1087 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0779 3.0326 -1.1401 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3151 2.5093 0.5471 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9979 1.3196 -2.1418 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3128 -0.1642 -1.4619 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3061 0.0492 -3.2919 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 2 0 10 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 15 16 1 0 15 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 25 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 0 7 45 1 0 8 46 1 0 8 47 1 0 9 48 1 0 10 49 1 0 11 50 1 0 11 51 1 0 12 52 1 0 13 53 1 0 14 54 1 0 14 55 1 0 15 56 1 0 16 57 1 0 17 58 1 0 18 59 1 0 19 60 1 0 19 61 1 0 20 62 1 0 20 63 1 0 21 64 1 0 21 65 1 0 25 66 1 1 26 67 1 0 26 68 1 0 27 69 1 0 28 70 1 0 28 71 1 0 31 72 1 0 31 73 1 0 31 74 1 0 M END