HMDB0042532 RDKit 3D TG(14:0/18:2(9Z,12Z)/22:4(7Z,10Z,13Z,16Z)) 161160 0 0 0 0 0 0 0 0999 V2000 -7.1313 -1.4457 0.1294 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3973 -1.6667 -1.1810 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9645 -1.1729 -0.9894 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3134 -1.9597 0.1262 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8660 -1.4772 0.3644 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0334 -1.6806 -0.8124 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9473 -2.3866 -0.8703 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2673 -3.1377 0.1526 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6958 -3.1645 1.5227 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0729 -4.2422 2.1587 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1300 -5.6286 1.6237 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4970 -6.1144 1.6525 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1106 -6.5722 0.6313 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5072 -6.6741 -0.7208 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4739 -8.1317 -0.9838 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3756 -8.7654 -1.2460 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0736 -8.1055 -1.3252 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5688 -8.4990 -2.6535 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8485 -7.8127 -2.9509 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6573 -6.3479 -3.2870 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9837 -5.6809 -3.5939 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7570 -4.3161 -4.1729 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5833 -3.8857 -4.2760 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7934 -3.5136 -4.6190 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6685 -2.2894 -5.2312 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0086 -1.1348 -4.5542 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8621 -0.0631 -5.6236 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0571 1.0219 -5.3028 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9187 2.0105 -6.2724 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5916 1.7762 -7.3495 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1405 3.2260 -6.2365 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2693 2.9998 -5.6646 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0700 4.2511 -5.7863 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4673 4.2514 -5.3119 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8002 4.1650 -3.8815 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3497 3.0346 -3.0550 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9474 3.1181 -1.6310 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4923 4.4057 -1.0231 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0570 4.5687 0.3963 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5415 5.8915 0.9230 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0802 6.1677 2.3150 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5753 7.4802 2.8603 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1846 7.6473 4.2367 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6407 -0.5857 -3.4702 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2478 -0.3996 -2.1734 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1134 -0.8031 -1.8476 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2201 0.2772 -1.2805 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7564 0.5101 0.1098 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4743 -0.7661 0.8609 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0003 -0.4507 2.2829 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7638 -1.7128 3.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3397 -1.7233 4.4027 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2830 -1.0244 5.4051 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6288 -1.5121 5.0013 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6061 -0.6725 4.8905 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7494 0.7501 5.1018 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0494 1.6000 3.9919 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5357 2.7763 3.6637 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5213 3.4414 4.4380 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3227 3.8852 3.6899 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5131 2.8575 2.9725 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3458 3.6332 2.3332 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4011 2.7857 1.5752 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5916 -0.7355 0.7968 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2543 -2.4397 0.6386 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1390 -1.0195 -0.1192 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4263 -2.7112 -1.4980 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8685 -1.0492 -1.9717 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9998 -0.1088 -0.6578 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4077 -1.1924 -1.9352 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3079 -3.0474 -0.0831 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8709 -1.7596 1.0606 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5237 -1.7591 1.3270 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0232 -0.3297 0.4070 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3942 -1.1592 -1.7569 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4480 -2.4076 -1.9106 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8044 -2.6954 0.1793 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0214 -4.1943 -0.1762 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6601 -2.2308 2.1576 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3796 -4.0648 3.2219 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5810 -6.2435 2.4323 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5549 -5.8041 0.7370 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9902 -6.0598 2.6593 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1572 -6.9292 0.6942 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3162 -6.2928 -1.4264 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6520 -6.0897 -0.9369 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4382 -8.6507 -0.9445 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3611 -9.8704 -1.4355 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5897 -8.6130 -0.5565 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0047 -7.0574 -1.1225 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7869 -9.5921 -2.5666 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1784 -8.4186 -3.4794 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4152 -8.2654 -3.7879 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5311 -7.9083 -2.0508 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2044 -5.8271 -2.4354 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0556 -6.3176 -4.2242 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5878 -5.5894 -2.6625 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5632 -6.3160 -4.2891 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1362 -2.4928 -6.2282 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6878 -1.9312 -5.6203 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9580 -1.4901 -4.3085 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8925 0.3514 -5.8405 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5505 -0.5666 -6.5782 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6242 4.0802 -5.6862 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0362 3.6328 -7.2846 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1906 2.5848 -4.6620 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6928 2.1673 -6.2981 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0699 4.5016 -6.9060 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4880 5.1403 -5.3797 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9794 5.2029 -5.7329 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0549 3.4331 -5.8889 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9443 4.2526 -3.7879 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4689 5.1652 -3.4421 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4451 2.0554 -3.5025 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2470 3.2099 -2.8288 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0384 3.0010 -1.6687 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5001 2.2662 -1.0722 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3933 4.3933 -0.9186 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8528 5.3194 -1.5479 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7281 3.7181 1.0350 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1607 4.5552 0.3885 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7408 6.7231 0.2229 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4243 5.8580 1.0492 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1959 6.2371 2.3083 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7362 5.3618 2.9810 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4588 7.4177 3.0314 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7815 8.3355 2.2232 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9996 6.7676 4.8691 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2822 7.7772 4.1313 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7818 8.5459 4.7608 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4142 1.2823 -1.7510 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2001 -0.2407 -1.2529 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5722 1.0363 0.6485 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8721 1.2016 0.1475 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7162 -1.3850 0.3969 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4768 -1.2854 0.9669 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0845 0.1771 2.1927 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7671 0.1583 2.7931 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9287 -2.2456 2.4205 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6776 -2.3902 2.9393 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3712 -1.1654 4.5104 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1289 -2.7594 4.7526 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1189 0.0420 5.2695 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0171 -1.3692 6.4216 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7381 -2.5804 4.8126 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5698 -1.1740 4.5496 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9519 1.1571 5.7959 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6700 0.8442 5.8137 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8323 1.2423 3.2809 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9003 3.2668 2.7586 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1288 2.8331 5.3008 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9544 4.3796 4.9547 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5832 4.3987 4.4004 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5740 4.7494 2.9917 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0969 2.3559 2.1744 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0958 2.0818 3.6299 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7859 4.4569 1.7199 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8083 4.1030 3.2039 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8268 1.8655 1.1915 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5274 2.5469 2.1761 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0048 3.4098 0.7172 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 2 0 16 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 2 0 22 24 1 0 24 25 1 0 25 26 1 0 26 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 41 42 1 0 42 43 1 0 26 44 1 0 44 45 1 0 45 46 2 0 45 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 54 55 2 0 55 56 1 0 56 57 1 0 57 58 2 0 58 59 1 0 59 60 1 0 60 61 1 0 61 62 1 0 62 63 1 0 1 64 1 0 1 65 1 0 1 66 1 0 2 67 1 0 2 68 1 0 3 69 1 0 3 70 1 0 4 71 1 0 4 72 1 0 5 73 1 0 5 74 1 0 6 75 1 0 7 76 1 0 8 77 1 0 8 78 1 0 9 79 1 0 10 80 1 0 11 81 1 0 11 82 1 0 12 83 1 0 13 84 1 0 14 85 1 0 14 86 1 0 15 87 1 0 16 88 1 0 17 89 1 0 17 90 1 0 18 91 1 0 18 92 1 0 19 93 1 0 19 94 1 0 20 95 1 0 20 96 1 0 21 97 1 0 21 98 1 0 25 99 1 0 25100 1 0 26101 1 1 27102 1 0 27103 1 0 31104 1 0 31105 1 0 32106 1 0 32107 1 0 33108 1 0 33109 1 0 34110 1 0 34111 1 0 35112 1 0 35113 1 0 36114 1 0 36115 1 0 37116 1 0 37117 1 0 38118 1 0 38119 1 0 39120 1 0 39121 1 0 40122 1 0 40123 1 0 41124 1 0 41125 1 0 42126 1 0 42127 1 0 43128 1 0 43129 1 0 43130 1 0 47131 1 0 47132 1 0 48133 1 0 48134 1 0 49135 1 0 49136 1 0 50137 1 0 50138 1 0 51139 1 0 51140 1 0 52141 1 0 52142 1 0 53143 1 0 53144 1 0 54145 1 0 55146 1 0 56147 1 0 56148 1 0 57149 1 0 58150 1 0 59151 1 0 59152 1 0 60153 1 0 60154 1 0 61155 1 0 61156 1 0 62157 1 0 62158 1 0 63159 1 0 63160 1 0 63161 1 0 M END