HMDB0294705 RDKit 3D DG(12:0/20:4(6E,8Z,11Z,14Z)+=O(5)/0:0) 99 98 0 0 0 0 0 0 0 0999 V2000 -9.9101 3.3465 -1.5135 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7916 2.1991 -2.5121 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1616 1.9082 -3.1260 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1700 1.5688 -2.1039 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9845 0.3813 -1.2338 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9154 -0.9057 -1.9668 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0361 -1.8078 -1.9371 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7858 -1.9165 -1.1696 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6998 -1.9877 -2.1672 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6582 -1.2590 -2.2041 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1170 -0.2121 -1.4217 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6334 0.2428 -0.1429 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9295 0.2013 1.0123 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5965 -0.3085 1.0481 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9448 -0.3051 2.2149 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5862 -0.8215 2.2548 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9819 -0.7922 3.3823 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9522 -1.3462 1.0565 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4731 -1.5760 1.2829 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7578 -0.2806 1.5805 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6995 -0.5688 1.7394 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1506 -1.7344 1.8373 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6264 0.4782 1.7784 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0266 0.2762 1.9145 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6488 0.6428 0.5584 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0616 -0.2251 -0.3799 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6185 1.0758 3.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9947 0.8465 3.1267 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4949 -0.3910 3.4398 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6479 -1.3622 3.6378 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8900 -0.7879 3.5879 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8403 0.2772 3.1897 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7079 0.6994 1.7533 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7527 1.7610 1.4352 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6717 2.2328 0.0111 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8386 1.1724 -1.0045 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1593 0.4158 -0.9368 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1223 -0.5922 -2.0182 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2446 -1.5095 -2.2299 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6190 -2.4649 -1.1464 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0953 -1.8470 0.1351 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3647 4.2502 -1.9454 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4933 3.0055 -0.6095 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8854 3.5645 -1.1506 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1419 2.5620 -3.3313 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4062 1.3244 -2.0026 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0442 1.1913 -3.9595 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4821 2.8809 -3.5962 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2661 2.4583 -1.4263 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1518 1.4080 -2.6471 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1754 0.4717 -0.4755 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9244 0.2995 -0.6055 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7960 -1.0674 -2.6430 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2136 -2.7022 -2.6079 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6227 -1.1568 -0.4400 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8168 -2.8986 -0.5769 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8558 -2.7881 -2.9557 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9818 -1.5412 -3.1199 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9962 -0.3715 -1.2629 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0511 0.7668 -2.0556 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6237 0.6957 0.0274 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4080 0.5631 1.9159 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0599 -0.7123 0.2185 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3897 0.0639 3.1169 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4035 -2.3531 0.8157 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1051 -0.7184 0.1401 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2978 -2.2549 2.1348 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9828 -2.0282 0.4056 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0862 0.2090 2.5117 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8657 0.4678 0.7690 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1789 -0.8001 2.0149 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7138 0.3728 0.5794 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4309 1.6826 0.2666 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4093 -1.1470 -0.2692 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1727 0.7393 3.9966 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3768 2.1623 2.9470 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0706 -1.6966 2.9657 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1017 -1.0786 4.6631 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6738 1.2115 3.8021 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9042 -0.0557 3.3834 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6789 1.1256 1.6213 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8172 -0.1054 1.0227 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4829 2.6334 2.0811 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7250 1.4045 1.7660 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6218 2.6296 -0.1155 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3419 3.0876 -0.1977 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7470 1.6291 -2.0142 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9878 0.4408 -0.9501 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9358 1.1836 -1.2326 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4060 0.1092 0.0622 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8851 -0.0892 -3.0248 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1838 -1.2439 -1.9032 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0990 -2.1407 -3.1629 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1639 -0.8684 -2.4352 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7583 -3.1393 -0.8642 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3943 -3.2017 -1.4983 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3198 -1.8153 0.9210 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9584 -2.5021 0.5286 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5269 -0.8419 0.0222 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 2 0 15 16 1 0 16 17 2 0 16 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 24 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 1 42 1 0 1 43 1 0 1 44 1 0 2 45 1 0 2 46 1 0 3 47 1 0 3 48 1 0 4 49 1 0 4 50 1 0 5 51 1 0 5 52 1 0 6 53 1 0 7 54 1 0 8 55 1 0 8 56 1 0 9 57 1 0 10 58 1 0 11 59 1 0 11 60 1 0 12 61 1 0 13 62 1 0 14 63 1 0 15 64 1 0 18 65 1 0 18 66 1 0 19 67 1 0 19 68 1 0 20 69 1 0 20 70 1 0 24 71 1 1 25 72 1 0 25 73 1 0 26 74 1 0 27 75 1 0 27 76 1 0 31 77 1 0 31 78 1 0 32 79 1 0 32 80 1 0 33 81 1 0 33 82 1 0 34 83 1 0 34 84 1 0 35 85 1 0 35 86 1 0 36 87 1 0 36 88 1 0 37 89 1 0 37 90 1 0 38 91 1 0 38 92 1 0 39 93 1 0 39 94 1 0 40 95 1 0 40 96 1 0 41 97 1 0 41 98 1 0 41 99 1 0 M END