HMDB0044473 RDKit 3D TG(16:0/18:3(9Z,12Z,15Z)/16:0) 155154 0 0 0 0 0 0 0 0999 V2000 1.7628 8.8661 -1.3966 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0174 8.6752 -0.5588 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9083 7.7110 -1.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3677 6.6173 -0.7506 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1963 5.9851 0.5730 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6782 4.6100 0.4399 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6965 4.0998 1.0814 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7791 4.5891 2.1018 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3646 4.4386 1.7579 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5579 5.3631 1.7912 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3865 6.7479 2.1809 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7260 7.8263 1.2379 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0965 8.0297 0.7560 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7938 6.9769 -0.0244 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0493 6.5627 -1.2438 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8511 5.5413 -2.0444 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0498 5.1535 -3.2352 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6103 4.2509 -4.2190 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0723 4.7362 -5.3236 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7157 2.8554 -4.1316 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2485 2.1079 -5.2478 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8768 1.5039 -5.7606 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4019 0.9193 -4.6377 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2940 0.2721 -4.2150 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6190 0.0886 -5.0142 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2525 -0.1844 -2.7564 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4602 0.8451 -1.9247 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3319 0.5430 -0.4308 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1457 0.5742 -0.0674 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3132 0.3995 1.4122 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8116 0.4641 1.7082 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1441 0.3876 3.1454 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7103 -0.8647 3.8639 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3130 -2.1036 3.3586 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9973 -3.3824 3.9837 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6599 -3.9488 4.0371 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5432 -3.2567 4.6904 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7060 -2.9219 6.1283 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5187 -2.1931 6.6560 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3895 -1.8517 8.1166 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3002 1.1743 -5.0325 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2464 -0.0745 -4.4484 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7012 -1.2310 -4.9257 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1519 -1.1487 -6.0878 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6367 -2.5774 -4.3471 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3182 -2.9310 -3.7693 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1925 -4.3358 -3.2708 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1595 -4.6689 -2.1967 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9303 -6.0814 -1.6506 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5403 -6.1780 -1.0719 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3003 -7.5634 -0.5298 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1245 -7.6484 0.0317 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3653 -6.7127 1.1651 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8046 -6.7457 1.6284 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7607 -6.3356 0.4985 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4104 -4.9586 0.0178 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2690 -4.4506 -1.1006 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7366 -4.3548 -0.7815 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9733 -3.3983 0.3644 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1429 9.3161 -2.3606 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2850 7.9320 -1.6794 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0618 9.5299 -0.8891 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8356 8.3937 0.4733 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5275 9.6699 -0.5668 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1670 8.0144 -2.3095 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0374 6.0460 -1.4784 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5143 6.6236 1.1749 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2202 5.9632 1.0439 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2322 3.9501 -0.3223 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4964 3.0035 0.7855 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9462 3.9120 3.0110 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0655 5.6108 2.4620 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0329 3.4062 1.4196 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5785 4.9895 1.4851 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0510 6.9051 3.0986 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6545 6.8984 2.5841 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0149 7.8446 0.3751 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4421 8.7990 1.7807 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7369 8.2079 1.6890 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2094 9.0244 0.2238 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7351 7.5141 -0.4337 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2206 6.1980 0.5909 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0693 6.1248 -0.9467 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8791 7.4432 -1.8825 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7553 6.1051 -2.3908 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1630 4.6924 -1.4428 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0276 4.8018 -2.8662 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7887 6.1099 -3.7594 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4826 2.8358 -6.0333 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9556 1.0386 -6.7052 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2621 2.4518 -5.9354 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1343 -1.1964 -2.6867 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2969 -0.1782 -2.4129 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5288 0.8116 -2.1477 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0515 1.8393 -2.1573 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8320 1.3344 0.1103 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7060 -0.4594 -0.2680 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6656 1.4649 -0.4145 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6975 -0.3083 -0.5320 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8486 1.2154 1.9735 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8614 -0.5469 1.7080 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3353 -0.2812 1.0785 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1530 1.4554 1.3205 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2342 0.5934 3.3011 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6034 1.2373 3.6616 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6123 -0.8126 3.8691 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9995 -0.6851 4.9464 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4381 -1.9628 3.4122 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1417 -2.1426 2.2412 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6344 -4.1634 3.4324 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4537 -3.4910 5.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3195 -4.3243 3.0169 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7768 -4.9484 4.5752 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3396 -4.0145 4.7049 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0659 -2.4216 4.1550 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7859 -3.8603 6.7448 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5698 -2.3119 6.3789 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4159 -2.8246 6.5241 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7175 -1.2551 6.0491 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4319 -1.1217 8.2538 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3665 -1.4270 8.4217 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2077 -2.8131 8.6471 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1281 1.7474 -4.4267 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8992 1.1009 -6.0372 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8177 -3.3143 -5.1887 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4929 -2.7865 -3.6415 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5387 -2.7799 -4.5382 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1384 -2.2375 -2.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1283 -4.5263 -2.9937 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3404 -5.0083 -4.1744 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1907 -4.6482 -2.5984 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1205 -3.9659 -1.3460 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0313 -6.8365 -2.4378 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6551 -6.3033 -0.8492 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3971 -5.4372 -0.2588 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7544 -6.0532 -1.8708 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3039 -8.2705 -1.4073 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0135 -7.9165 0.2034 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2112 -8.6935 0.4090 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8478 -7.5595 -0.8127 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2096 -7.1409 2.0391 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0624 -5.6895 0.9610 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0872 -7.7296 2.0456 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9804 -6.0000 2.4374 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7070 -7.1073 -0.2781 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8038 -6.3540 0.8956 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4379 -4.2291 0.8624 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3275 -4.9532 -0.3152 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0792 -5.0273 -2.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8720 -3.4081 -1.3368 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2895 -3.9403 -1.6683 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1475 -5.3474 -0.5788 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0391 -3.4227 0.6991 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3374 -3.6649 1.2166 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7980 -2.3339 0.0188 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 1 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 2 0 24 26 1 0 26 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 1 0 35 36 1 0 36 37 1 0 37 38 1 0 38 39 1 0 39 40 1 0 21 41 1 0 41 42 1 0 42 43 1 0 43 44 2 0 43 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 1 60 1 0 1 61 1 0 1 62 1 0 2 63 1 0 2 64 1 0 3 65 1 0 4 66 1 0 5 67 1 0 5 68 1 0 6 69 1 0 7 70 1 0 8 71 1 0 8 72 1 0 9 73 1 0 10 74 1 0 11 75 1 0 11 76 1 0 12 77 1 0 12 78 1 0 13 79 1 0 13 80 1 0 14 81 1 0 14 82 1 0 15 83 1 0 15 84 1 0 16 85 1 0 16 86 1 0 17 87 1 0 17 88 1 0 21 89 1 0 22 90 1 0 22 91 1 0 26 92 1 0 26 93 1 0 27 94 1 0 27 95 1 0 28 96 1 0 28 97 1 0 29 98 1 0 29 99 1 0 30100 1 0 30101 1 0 31102 1 0 31103 1 0 32104 1 0 32105 1 0 33106 1 0 33107 1 0 34108 1 0 34109 1 0 35110 1 0 35111 1 0 36112 1 0 36113 1 0 37114 1 0 37115 1 0 38116 1 0 38117 1 0 39118 1 0 39119 1 0 40120 1 0 40121 1 0 40122 1 0 41123 1 0 41124 1 0 45125 1 0 45126 1 0 46127 1 0 46128 1 0 47129 1 0 47130 1 0 48131 1 0 48132 1 0 49133 1 0 49134 1 0 50135 1 0 50136 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 59155 1 0 M END