HMDB0052832 RDKit 3D TG(18:2(9Z,12Z)/O-18:0/18:3(6Z,9Z,12Z)) 164163 0 0 0 0 0 0 0 0999 V2000 -1.3799 5.9369 -5.8690 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1685 7.2617 -5.1407 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0885 7.9109 -5.6145 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3426 7.1495 -5.4079 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7196 6.8338 -3.9900 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9324 8.0158 -3.1648 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2795 8.2939 -2.0632 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2266 7.4103 -1.5306 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0265 8.2309 -1.4091 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6441 8.3746 -0.2592 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2396 7.7918 1.0308 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3401 6.9182 1.4907 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1756 5.6410 1.7038 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9105 4.9438 1.5167 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3837 4.2673 2.7759 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3579 3.2476 3.2687 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7952 2.5730 4.5244 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7858 1.5754 4.9882 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6511 1.9208 5.8181 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7426 0.2862 4.5002 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6796 -0.6591 4.9277 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4558 -2.0372 4.2245 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.0473 -2.3971 4.5854 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4967 -3.4840 3.9769 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7714 -4.7968 3.9579 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7485 -5.2109 4.6399 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0829 -5.7228 3.1375 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4205 -5.9815 3.7025 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3960 -4.9208 3.9397 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9973 -4.1172 2.8678 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0774 -3.2852 2.0512 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7945 -2.4774 0.9624 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7893 -1.4904 1.5357 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1459 -0.5530 2.4624 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0585 0.7602 2.3291 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5996 1.5081 1.2079 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6232 2.5024 1.3751 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2969 2.9149 2.3970 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2042 2.4457 3.7690 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5709 1.9160 4.2559 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6091 2.9984 4.2034 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9306 2.3997 4.6960 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7388 1.9243 6.1035 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5641 -1.8446 2.8655 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6780 -2.3422 2.2561 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9956 -3.7792 2.4214 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2893 -4.1034 1.7179 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1252 -3.8863 0.2167 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4083 -4.1298 -0.4964 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4016 -4.1470 -1.9526 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8540 -3.0614 -2.7928 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3340 -2.9125 -2.7197 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8301 -1.8411 -3.6360 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3866 -1.5865 -3.5340 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4130 -2.6943 -3.7389 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3188 -3.7566 -2.7151 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3097 -4.8274 -2.9854 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4401 -5.7548 -4.0939 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4937 -5.3961 -5.4983 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5711 -4.6666 -6.1894 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9090 -5.2540 -6.3649 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6304 -5.5872 -5.0977 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4469 6.1718 -6.9425 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3179 5.4670 -5.4914 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5617 5.2241 -5.7264 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0157 7.9144 -5.4977 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2749 7.1337 -4.0679 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1384 8.9523 -5.1900 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0248 8.0268 -6.7412 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1837 7.7880 -5.8096 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3809 6.2304 -6.0352 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1225 6.0224 -3.5743 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7663 6.3588 -4.0828 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7211 8.7365 -3.5168 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5555 9.2357 -1.5414 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0475 6.5460 -2.1736 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5659 7.1052 -0.5151 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3830 8.7049 -2.3329 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5430 8.9818 -0.2681 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2387 7.4160 1.1384 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2720 8.6993 1.7564 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3045 7.4196 1.6421 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0686 5.0638 2.0489 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1432 4.0584 0.8311 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0956 5.4604 1.0401 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1902 5.0276 3.5631 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5642 3.7780 2.5116 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3519 3.6797 3.4623 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4850 2.4476 2.4914 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7159 3.3704 5.2840 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1770 2.1027 4.2725 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5858 -0.7628 6.0210 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6902 -0.3358 4.6745 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1861 -2.7024 4.6761 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3454 -1.5196 4.3941 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9475 -2.4904 5.7238 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0042 -5.5408 2.0695 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4634 -6.7492 3.2399 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9064 -6.8092 3.0608 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2894 -6.5352 4.6880 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2382 -5.3889 4.5613 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9218 -4.2174 4.7199 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6383 -4.7398 2.1647 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7557 -3.3929 3.3171 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3071 -3.8646 1.5229 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5463 -2.5326 2.7152 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0188 -1.8949 0.4238 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2854 -3.1659 0.2719 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3256 -1.0169 0.7080 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5947 -2.0485 2.1110 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6872 -0.9937 3.3763 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4764 1.2980 3.1404 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8563 0.7666 0.3888 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6681 2.0078 0.6982 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9069 3.0501 0.4055 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0523 3.7444 2.2541 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0038 3.3119 4.4586 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4503 1.7051 3.9987 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4413 1.5066 5.2707 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8250 1.0732 3.5860 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7645 3.4261 3.2015 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2831 3.8496 4.8490 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2030 1.5464 4.0539 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7598 3.1373 4.6065 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9274 2.5111 6.5667 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4491 0.8682 6.1319 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6808 2.1209 6.6659 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4828 -2.1954 1.1384 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6063 -1.7570 2.4251 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1970 -4.4459 1.9893 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0587 -4.0911 3.5058 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5955 -5.1474 1.9301 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0889 -3.4200 2.0565 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3382 -4.5171 -0.1452 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9607 -2.7723 0.1388 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7559 -5.1644 -0.1416 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2068 -3.4378 -0.0725 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8558 -5.1248 -2.2612 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4746 -4.2933 -2.3206 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3081 -2.0715 -2.5262 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1321 -3.2457 -3.8672 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0345 -3.8959 -3.2724 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9573 -2.8395 -1.7320 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1613 -2.0510 -4.7053 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3384 -0.8505 -3.3467 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1960 -1.1955 -2.4782 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0888 -0.6794 -4.1695 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5398 -3.1433 -4.7712 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3937 -2.1750 -3.7790 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9753 -3.2031 -1.7434 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2324 -4.2684 -2.4031 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3463 -5.4750 -2.0263 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7087 -4.3592 -2.8703 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2426 -6.6374 -3.8703 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4663 -6.2937 -3.9020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5595 -6.4610 -6.0446 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4936 -5.0221 -5.7998 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6712 -3.6056 -5.7791 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1638 -4.4369 -7.2348 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5835 -4.4896 -6.8881 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9378 -6.1051 -7.0942 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4487 -4.8835 -4.2735 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3913 -6.6161 -4.7097 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7502 -5.5542 -5.2446 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 16 17 1 0 17 18 1 0 18 19 2 0 18 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 2 0 25 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 2 0 35 36 1 0 36 37 1 0 37 38 2 0 38 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 22 44 1 0 44 45 1 0 45 46 1 0 46 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 1 0 55 56 1 0 56 57 1 0 57 58 1 0 58 59 1 0 59 60 1 0 60 61 1 0 61 62 1 0 1 63 1 0 1 64 1 0 1 65 1 0 2 66 1 0 2 67 1 0 3 68 1 0 3 69 1 0 4 70 1 0 4 71 1 0 5 72 1 0 5 73 1 0 6 74 1 0 7 75 1 0 8 76 1 0 8 77 1 0 9 78 1 0 10 79 1 0 11 80 1 0 11 81 1 0 12 82 1 0 13 83 1 0 14 84 1 0 14 85 1 0 15 86 1 0 15 87 1 0 16 88 1 0 16 89 1 0 17 90 1 0 17 91 1 0 21 92 1 0 21 93 1 0 22 94 1 1 23 95 1 0 23 96 1 0 27 97 1 0 27 98 1 0 28 99 1 0 28100 1 0 29101 1 0 29102 1 0 30103 1 0 30104 1 0 31105 1 0 31106 1 0 32107 1 0 32108 1 0 33109 1 0 33110 1 0 34111 1 0 35112 1 0 36113 1 0 36114 1 0 37115 1 0 38116 1 0 39117 1 0 39118 1 0 40119 1 0 40120 1 0 41121 1 0 41122 1 0 42123 1 0 42124 1 0 43125 1 0 43126 1 0 43127 1 0 45128 1 0 45129 1 0 46130 1 0 46131 1 0 47132 1 0 47133 1 0 48134 1 0 48135 1 0 49136 1 0 49137 1 0 50138 1 0 50139 1 0 51140 1 0 51141 1 0 52142 1 0 52143 1 0 53144 1 0 53145 1 0 54146 1 0 54147 1 0 55148 1 0 55149 1 0 56150 1 0 56151 1 0 57152 1 0 57153 1 0 58154 1 0 58155 1 0 59156 1 0 59157 1 0 60158 1 0 60159 1 0 61160 1 0 61161 1 0 62162 1 0 62163 1 0 62164 1 0 M END