HMDB0049645 RDKit 3D TG(18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z)) 169168 0 0 0 0 0 0 0 0999 V2000 4.0224 -1.3459 -10.1944 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8549 0.1362 -9.8761 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5404 0.9114 -11.0963 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4338 1.5999 -11.2249 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3397 1.7231 -10.2132 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2190 3.1454 -9.8677 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3563 3.6699 -8.6762 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6599 2.8637 -7.4747 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9541 3.3244 -6.9081 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1210 3.8190 -5.6966 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9973 3.9646 -4.7612 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1802 3.1955 -3.5137 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3401 2.2638 -3.1502 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1306 1.8374 -3.8694 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1298 1.9395 -3.1031 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8618 0.8716 -2.8770 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5230 -0.4589 -3.3324 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3719 -1.4904 -2.2208 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3486 -1.0729 -1.1913 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2351 -2.1931 -0.1904 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6792 -1.9532 0.9474 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3271 -0.8886 1.8790 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9549 -0.7363 2.9854 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6928 0.0229 1.6602 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9884 1.0260 2.7056 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.3974 0.6830 3.1715 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4701 -0.7352 3.3508 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5999 -1.3284 3.7845 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6423 -0.7182 4.1082 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5692 -2.8561 3.8565 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3020 -3.3031 2.6034 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3242 -4.7684 2.4080 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9417 -5.3504 2.2674 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9825 -6.8503 1.9585 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7157 -7.0832 0.6802 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7774 -8.5088 0.1906 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4563 -9.0731 -0.0720 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0625 -9.4310 -1.2673 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8434 -9.3318 -2.5104 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0201 -10.6214 -3.1833 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5831 -10.8444 -4.3991 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8844 -9.8353 -5.1779 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5936 -9.4256 -6.4668 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7508 -8.3729 -7.1550 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3912 -7.9240 -8.4227 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7319 -7.3075 -8.2317 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9162 2.3615 2.1017 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1334 3.4694 2.8326 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1323 4.0518 3.5069 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2418 3.4697 3.5399 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0437 5.3485 4.2255 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4699 5.3138 5.5938 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2648 4.4474 6.5193 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6833 4.4675 7.9248 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2729 3.9653 7.9315 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3037 4.0191 9.3151 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6958 3.5290 9.4554 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7362 4.2504 8.6449 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1314 3.6643 8.9269 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2356 2.2585 8.5781 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1375 1.7983 7.7495 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1834 2.5055 7.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1139 2.3280 5.5587 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9482 2.8203 4.8048 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7672 4.3214 4.9119 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6331 4.7864 4.0513 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3033 4.1933 4.3636 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4483 -1.8492 -9.3084 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0738 -1.8284 -10.4626 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7428 -1.4833 -11.0373 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9107 0.4658 -9.5847 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1968 0.2988 -9.0332 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2780 0.9010 -11.9230 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2858 2.1467 -12.1662 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4002 1.4539 -10.8344 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4416 1.0149 -9.4158 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9893 3.8548 -10.6842 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2435 4.7676 -8.5444 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7973 2.9795 -6.8060 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7232 1.7904 -7.7786 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8673 3.2474 -7.5479 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1415 4.1249 -5.3768 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1369 5.0688 -4.3826 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0317 3.9989 -5.2083 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0708 3.4335 -2.8804 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5892 1.7474 -2.1922 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0629 2.5370 -4.7469 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3384 0.8921 -4.3568 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4109 2.9154 -2.7495 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7835 1.0394 -2.3083 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7487 -0.6164 -4.0589 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4643 -0.8304 -3.8753 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3331 -1.6795 -1.7008 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0528 -2.4473 -2.6802 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6115 -0.1583 -0.6567 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6352 -0.9923 -1.7322 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2692 -2.5103 0.1581 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1300 -3.1267 -0.7080 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7686 -2.9366 1.4952 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7096 -1.7922 0.5013 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2788 0.8621 3.4878 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1816 1.0488 2.5125 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5172 1.0860 4.1853 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5234 -3.1971 3.7647 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0568 -3.2045 4.7703 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3217 -2.8461 2.6565 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7830 -2.7775 1.7644 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9135 -5.3055 3.1754 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8887 -4.9540 1.4452 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4063 -5.2376 3.2279 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3460 -4.8166 1.4998 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5014 -7.3430 2.8076 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9686 -7.2704 1.9182 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3465 -6.3986 -0.1342 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7960 -6.7790 0.8065 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5203 -8.5945 -0.6093 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2664 -9.0602 1.0806 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7930 -9.1877 0.8029 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0307 -9.8522 -1.3116 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4701 -8.5012 -3.1593 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9016 -8.9798 -2.2763 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5355 -11.4266 -2.6491 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7431 -11.8353 -4.8577 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9345 -10.3588 -5.5697 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4825 -8.9645 -4.6561 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6500 -10.3066 -7.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5943 -9.0592 -6.2318 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6682 -7.4838 -6.4734 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7211 -8.7289 -7.3466 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4060 -8.7786 -9.1457 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7240 -7.1498 -8.9182 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4778 -7.9069 -8.8139 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7831 -6.2835 -8.6885 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0000 -7.2628 -7.1672 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1505 2.4040 1.6270 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6128 2.3620 1.1642 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0513 5.8458 4.1916 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3636 5.9932 3.5902 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4296 6.3381 6.0625 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4162 4.9753 5.4948 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3588 3.4135 6.1567 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2900 4.8721 6.6006 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3658 3.9072 8.5713 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6495 5.5432 8.2262 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2469 2.9195 7.6094 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3412 4.6571 7.3166 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2002 5.0982 9.6417 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3496 3.4686 10.0274 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7662 2.4389 9.2570 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9797 3.6750 10.5393 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8159 5.3226 8.8681 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5614 4.1309 7.5726 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2740 3.7463 10.0433 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8824 4.3035 8.4159 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5124 1.5523 9.0519 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1035 0.7006 7.5764 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1629 2.0070 7.3485 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3491 3.5647 7.3330 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2293 1.2315 5.3062 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0296 2.7835 5.0688 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0868 2.5826 3.7341 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9893 2.3302 5.1035 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5501 4.6252 5.9591 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6839 4.8480 4.5407 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8948 4.5206 2.9880 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5981 5.9191 4.0267 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2442 3.6212 5.2899 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5373 5.0125 4.2715 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9895 3.4682 3.5547 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 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 2 0 28 30 1 0 30 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 2 0 38 39 1 0 39 40 1 0 40 41 2 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 25 47 1 0 47 48 1 0 48 49 1 0 49 50 2 0 49 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 2 0 61 62 1 0 62 63 1 0 63 64 1 0 64 65 1 0 65 66 1 0 66 67 1 0 1 68 1 0 1 69 1 0 1 70 1 0 2 71 1 0 2 72 1 0 3 73 1 0 4 74 1 0 5 75 1 0 5 76 1 0 6 77 1 0 7 78 1 0 8 79 1 0 8 80 1 0 9 81 1 0 10 82 1 0 11 83 1 0 11 84 1 0 12 85 1 0 13 86 1 0 14 87 1 0 14 88 1 0 15 89 1 0 16 90 1 0 17 91 1 0 17 92 1 0 18 93 1 0 18 94 1 0 19 95 1 0 19 96 1 0 20 97 1 0 20 98 1 0 21 99 1 0 21100 1 0 25101 1 1 26102 1 0 26103 1 0 30104 1 0 30105 1 0 31106 1 0 31107 1 0 32108 1 0 32109 1 0 33110 1 0 33111 1 0 34112 1 0 34113 1 0 35114 1 0 35115 1 0 36116 1 0 36117 1 0 37118 1 0 38119 1 0 39120 1 0 39121 1 0 40122 1 0 41123 1 0 42124 1 0 42125 1 0 43126 1 0 43127 1 0 44128 1 0 44129 1 0 45130 1 0 45131 1 0 46132 1 0 46133 1 0 46134 1 0 47135 1 0 47136 1 0 51137 1 0 51138 1 0 52139 1 0 52140 1 0 53141 1 0 53142 1 0 54143 1 0 54144 1 0 55145 1 0 55146 1 0 56147 1 0 56148 1 0 57149 1 0 57150 1 0 58151 1 0 58152 1 0 59153 1 0 59154 1 0 60155 1 0 61156 1 0 62157 1 0 62158 1 0 63159 1 0 63160 1 0 64161 1 0 64162 1 0 65163 1 0 65164 1 0 66165 1 0 66166 1 0 67167 1 0 67168 1 0 67169 1 0 M END