HMDB0071246 RDKit 3D TG(8:0/8:0/a-13:0)[rac] 98 97 0 0 0 0 0 0 0 0999 V2000 -10.0984 6.4815 0.3789 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6324 6.3917 0.0244 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1491 4.9355 -0.0026 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6997 4.9806 -0.3601 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0481 3.6200 -0.4319 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1150 2.8797 0.8655 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4351 1.5400 0.6888 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0053 1.7127 0.2967 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6316 1.9033 -0.8806 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0761 1.6520 1.3192 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7025 1.7870 1.1537 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0986 0.7085 0.2363 C 0 0 1 0 0 0 0 0 0 0 0 0 0.3497 1.0376 0.1312 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0353 0.1371 -0.6800 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3108 -1.1805 -0.4505 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9512 -1.7294 0.6065 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0438 -1.9711 -1.4624 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5238 -1.9606 -1.0432 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9345 -0.5189 -1.0373 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3784 -0.3007 -0.6400 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2813 -1.0093 -1.6037 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7143 -0.7635 -1.2170 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0423 -1.2641 0.1530 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4917 -1.0172 0.5178 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8600 0.4359 0.5012 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0793 1.2787 1.4439 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3320 0.5226 0.8850 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8008 1.9758 0.8943 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3284 -0.5570 0.7455 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1275 -1.4659 0.0067 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5720 -1.0342 -1.0825 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3871 -2.8336 0.5433 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7881 -2.9634 1.1076 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7799 -2.7180 0.0392 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7890 -3.5666 -1.1672 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0674 -4.9990 -1.0941 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1839 -5.9002 -0.3190 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6902 -7.3715 -0.4755 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1551 6.4934 1.4959 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6951 5.6949 -0.0806 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4291 7.5069 0.0576 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9902 6.9077 0.7531 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4053 6.8099 -0.9763 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7667 4.3237 -0.6761 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2462 4.4858 1.0161 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6120 5.4323 -1.3790 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1721 5.5644 0.4122 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5005 2.9870 -1.2093 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9647 3.8093 -0.6461 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1526 2.6870 1.2063 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5249 3.4270 1.6439 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8965 0.9255 -0.1077 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5067 0.9310 1.6260 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2067 1.7274 2.1429 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4870 2.7960 0.7474 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5619 0.8564 -0.7866 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5064 2.0695 -0.2813 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8284 1.0311 1.1687 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9091 -1.5239 -2.4614 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6690 -3.0116 -1.4689 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1124 -2.6185 -1.6813 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5269 -2.3123 0.0174 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3320 0.0330 -0.2758 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8181 -0.0471 -2.0526 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4716 -0.6586 0.4065 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5492 0.7973 -0.6996 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0487 -2.0929 -1.6767 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1351 -0.5063 -2.5977 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3612 -1.2756 -1.9670 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8642 0.3508 -1.2899 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9360 -2.3890 0.1141 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3555 -0.9424 0.9531 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1061 -1.5456 -0.2391 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6807 -1.4827 1.4832 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7997 0.8193 -0.5488 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0656 2.3254 1.0207 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6160 1.3971 2.4314 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0793 0.9213 1.6841 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9749 -0.0871 0.2277 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4981 0.1476 1.9265 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1934 2.4802 1.6731 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5936 2.4178 -0.0866 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8860 1.9479 1.1356 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6128 -3.0668 1.2977 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2149 -3.5313 -0.3013 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8591 -3.8454 1.7110 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8265 -2.0809 1.8667 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7117 -1.6407 -0.3429 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7952 -2.7038 0.5536 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5767 -3.0851 -1.8608 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8270 -3.3427 -1.7347 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0688 -5.3816 -2.1751 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1563 -5.1089 -0.7767 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2150 -5.7749 0.7798 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1660 -5.9177 -0.7447 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7775 -7.5800 -1.5479 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6502 -7.4304 0.0769 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9099 -7.9761 0.0330 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 1 0 7 8 1 0 8 9 2 0 8 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 2 0 15 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 25 27 1 0 27 28 1 0 12 29 1 0 29 30 1 0 30 31 2 0 30 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 1 39 1 0 1 40 1 0 1 41 1 0 2 42 1 0 2 43 1 0 3 44 1 0 3 45 1 0 4 46 1 0 4 47 1 0 5 48 1 0 5 49 1 0 6 50 1 0 6 51 1 0 7 52 1 0 7 53 1 0 11 54 1 0 11 55 1 0 12 56 1 6 13 57 1 0 13 58 1 0 17 59 1 0 17 60 1 0 18 61 1 0 18 62 1 0 19 63 1 0 19 64 1 0 20 65 1 0 20 66 1 0 21 67 1 0 21 68 1 0 22 69 1 0 22 70 1 0 23 71 1 0 23 72 1 0 24 73 1 0 24 74 1 0 25 75 1 0 26 76 1 0 26 77 1 0 26 78 1 0 27 79 1 0 27 80 1 0 28 81 1 0 28 82 1 0 28 83 1 0 32 84 1 0 32 85 1 0 33 86 1 0 33 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 38 98 1 0 M END