HMDB0296959 RDKit 3D DG(2:0/18:2(9Z,11E)+=O(13)/0:0) 67 66 0 0 0 0 0 0 0 0999 V2000 -10.1497 -1.7743 -1.8990 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0328 -0.7422 -1.7612 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7374 -1.4227 -1.4249 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6463 -0.4156 -1.2972 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8718 0.6190 -0.2175 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9916 0.0183 1.1295 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1259 -0.3603 1.5841 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8558 -0.1741 1.9937 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6328 0.1880 1.6032 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4833 0.0051 2.4509 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2507 0.3503 2.1259 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9695 0.9637 0.8406 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0639 0.2089 -0.0572 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3425 -0.0210 0.2963 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7325 -0.7816 1.4862 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2733 -0.9743 1.5373 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9360 0.3417 1.6254 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4397 0.3178 1.7568 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0515 -0.3221 0.5958 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7058 -1.4743 0.2566 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0125 0.3521 -0.1265 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6089 -0.2365 -1.2356 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2266 0.5485 -2.4794 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8281 0.4853 -2.5586 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1009 -0.2809 -1.0401 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6513 1.0108 -0.8769 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0197 1.1181 -0.6916 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6565 2.4632 -0.5133 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7281 0.0840 -0.6729 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.1001 -1.2235 -1.8361 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0072 -2.2913 -2.8652 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1034 -2.4981 -1.0618 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9017 -0.1721 -2.6923 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3689 -0.0316 -0.9810 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7942 -2.0338 -0.5105 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4852 -2.0848 -2.2747 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5519 0.1333 -2.2634 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6666 -0.8824 -1.0981 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0802 1.3819 -0.3134 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8188 1.1822 -0.4550 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9270 -0.6076 2.9773 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5050 0.6180 0.6278 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6238 -0.4570 3.4488 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4555 0.1720 2.8909 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3535 1.9175 1.1121 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8500 1.3871 0.3012 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5019 -0.8302 -0.2845 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0571 0.6866 -1.1063 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8386 -0.4721 -0.6073 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8763 1.0038 0.3799 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2460 -1.7593 1.5806 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5657 -0.2189 2.4639 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4726 -1.4494 0.5275 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5370 -1.7067 2.2963 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5448 0.9940 2.4304 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7124 0.9311 0.6734 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7816 1.3720 1.8464 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7413 -0.1744 2.7097 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2138 -1.2482 -1.3804 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6860 0.1545 -3.3864 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4749 1.6278 -2.3729 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5467 -0.1506 -3.2781 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2879 -0.8691 -0.1196 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5732 -0.8157 -1.8825 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0259 3.2820 -0.8592 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8835 2.6094 0.5603 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6412 2.4286 -1.0391 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 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 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 22 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 27 29 2 0 1 30 1 0 1 31 1 0 1 32 1 0 2 33 1 0 2 34 1 0 3 35 1 0 3 36 1 0 4 37 1 0 4 38 1 0 5 39 1 0 5 40 1 0 8 41 1 0 9 42 1 0 10 43 1 0 11 44 1 0 12 45 1 0 12 46 1 0 13 47 1 0 13 48 1 0 14 49 1 0 14 50 1 0 15 51 1 0 15 52 1 0 16 53 1 0 16 54 1 0 17 55 1 0 17 56 1 0 18 57 1 0 18 58 1 0 22 59 1 6 23 60 1 0 23 61 1 0 24 62 1 0 25 63 1 0 25 64 1 0 28 65 1 0 28 66 1 0 28 67 1 0 M END