HMDB0044882 RDKit 3D TG(18:0/14:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 159158 0 0 0 0 0 0 0 0999 V2000 -6.5885 -1.9368 -4.1189 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5320 -2.6782 -4.9508 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8096 -2.4987 -6.3868 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0461 -1.9450 -7.2814 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7114 -1.3966 -6.9081 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6426 -2.0833 -7.7062 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8075 -1.5178 -8.5111 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7423 -0.0665 -8.8016 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4135 0.4470 -8.4502 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1356 1.4289 -7.7004 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9647 2.3878 -6.9480 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7587 2.3994 -5.4895 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6879 2.3162 -4.5568 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1033 2.2017 -4.8475 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8523 1.1022 -4.2096 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8304 1.3466 -3.4041 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3918 2.5767 -2.9555 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9787 3.8950 -3.3473 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4033 4.7080 -2.4347 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1481 4.3844 -1.0298 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7461 4.2908 -0.6307 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8452 5.4412 -0.7574 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1367 6.5688 -1.1207 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5327 5.1930 -0.4250 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5910 5.9857 -0.3990 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6879 4.9894 0.0666 C 0 0 2 0 0 0 0 0 0 0 0 0 2.9245 5.5984 0.5683 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5064 4.6388 1.5130 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8050 4.5568 2.7184 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7850 5.3365 2.8387 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1072 3.6824 3.8633 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2624 4.1734 4.7100 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4466 3.3715 5.9507 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6585 1.9097 5.8008 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8330 1.4603 5.0294 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0749 -0.0043 4.9337 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1462 -0.8957 4.2684 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7426 -1.1056 4.6750 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4985 -1.5567 6.0727 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0561 -1.8622 6.2884 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1530 -0.6973 6.1023 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3627 0.4181 7.0908 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3806 1.5262 6.7338 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4726 2.6850 7.6793 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5011 3.7819 7.2256 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3640 4.9276 8.2364 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2754 6.0589 7.8517 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8027 3.9498 -0.8496 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4218 2.6265 -0.6820 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9528 2.2966 0.4117 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5847 1.6867 -1.8037 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4141 0.5084 -1.5227 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8654 -0.3554 -0.4124 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7827 -1.5792 -0.2934 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3279 -2.5185 0.7684 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2606 -3.7191 0.8390 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3180 -4.4672 -0.4871 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0190 -4.9561 -0.9227 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7259 -6.1887 -1.1596 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6632 -7.3128 -1.0312 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1157 -8.2779 0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7609 -8.8154 -0.3761 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7528 -9.5519 -1.6919 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8072 -0.9481 -4.5738 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5118 -2.5166 -4.1592 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1698 -1.8385 -3.1182 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7265 -3.7668 -4.7005 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5412 -2.4303 -4.6193 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8050 -2.8990 -6.7031 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4051 -1.8874 -8.3235 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7581 -0.3220 -7.0214 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4965 -1.6838 -5.8543 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6275 -3.1858 -7.5352 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0730 -2.1884 -9.0278 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9534 0.0289 -9.8954 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4738 0.4610 -8.1855 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4342 -0.1175 -8.9186 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9848 1.6201 -7.5747 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9982 2.4220 -7.3007 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5602 3.4336 -7.2692 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3208 2.4894 -5.1785 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3527 2.3366 -3.5132 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6154 3.1321 -5.0313 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0889 1.7898 -5.9750 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5472 0.0399 -4.4174 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3211 0.4133 -2.9869 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6216 2.5609 -1.8289 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5357 2.5646 -3.2987 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1580 4.3242 -4.3581 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1043 5.6997 -2.8004 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6019 5.2766 -0.4400 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7039 3.5408 -0.5872 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2393 3.4175 -1.1763 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6520 3.9455 0.4444 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5344 6.7841 0.3469 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8021 6.3323 -1.4364 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1852 4.4753 0.9808 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7429 6.5620 1.0675 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6476 5.7188 -0.2795 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1973 3.5799 4.5036 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3520 2.6630 3.4478 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9643 5.2065 5.0473 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1885 4.2110 4.1058 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4712 3.4734 6.5264 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2364 3.8550 6.5782 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6361 1.3889 6.8070 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7227 1.5268 5.2889 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7163 1.8469 3.9744 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7496 1.9226 5.4821 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0638 -0.0870 4.3398 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4402 -0.4036 5.9394 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0792 -0.5244 3.1700 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6214 -1.9325 4.0623 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3818 -2.0268 4.0454 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0111 -0.3504 4.3360 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7842 -0.8017 6.8375 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0992 -2.4992 6.2150 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8902 -2.3081 7.3213 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7079 -2.6402 5.5263 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2326 -0.2357 5.0971 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0746 -1.0178 6.2320 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0985 0.0100 8.0927 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3612 0.8251 7.1385 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6558 1.0877 6.8985 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4372 1.8116 5.6789 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0874 2.3858 8.7038 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4931 3.0726 7.7234 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5309 3.4356 7.2783 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1728 4.1812 6.2574 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6873 5.2251 8.3236 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7001 4.5545 9.2413 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8675 7.0114 8.2601 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2971 5.9536 8.2483 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3744 6.1412 6.7410 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5506 1.3369 -2.1607 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9329 2.2656 -2.7169 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4657 0.8008 -1.2185 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5669 -0.1464 -2.4248 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8336 -0.6990 -0.6050 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8349 0.1845 0.5486 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7989 -1.1720 -0.0369 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8960 -2.0524 -1.2903 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3849 -1.9898 1.7512 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3029 -2.8350 0.5613 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3017 -3.3966 1.0544 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9422 -4.4245 1.6177 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1058 -5.2398 -0.3380 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7505 -3.7882 -1.2734 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2111 -4.2152 -1.0599 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6897 -6.4783 -1.5010 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7050 -7.0409 -0.7873 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6867 -7.9143 -1.9962 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8208 -9.1133 0.1536 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0704 -7.7087 0.9575 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4497 -9.5421 0.4097 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0151 -8.0026 -0.3728 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7552 -9.6941 -2.1355 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3006 -10.5611 -1.6105 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1172 -9.0008 -2.4535 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 2 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 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 26 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 2 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 4 70 1 0 5 71 1 0 5 72 1 0 6 73 1 0 7 74 1 0 8 75 1 0 8 76 1 0 9 77 1 0 10 78 1 0 11 79 1 0 11 80 1 0 12 81 1 0 13 82 1 0 14 83 1 0 14 84 1 0 15 85 1 0 16 86 1 0 17 87 1 0 17 88 1 0 18 89 1 0 19 90 1 0 20 91 1 0 20 92 1 0 21 93 1 0 21 94 1 0 25 95 1 0 25 96 1 0 26 97 1 1 27 98 1 0 27 99 1 0 31100 1 0 31101 1 0 32102 1 0 32103 1 0 33104 1 0 33105 1 0 34106 1 0 34107 1 0 35108 1 0 35109 1 0 36110 1 0 36111 1 0 37112 1 0 37113 1 0 38114 1 0 38115 1 0 39116 1 0 39117 1 0 40118 1 0 40119 1 0 41120 1 0 41121 1 0 42122 1 0 42123 1 0 43124 1 0 43125 1 0 44126 1 0 44127 1 0 45128 1 0 45129 1 0 46130 1 0 46131 1 0 47132 1 0 47133 1 0 47134 1 0 51135 1 0 51136 1 0 52137 1 0 52138 1 0 53139 1 0 53140 1 0 54141 1 0 54142 1 0 55143 1 0 55144 1 0 56145 1 0 56146 1 0 57147 1 0 57148 1 0 58149 1 0 59150 1 0 60151 1 0 60152 1 0 61153 1 0 61154 1 0 62155 1 0 62156 1 0 63157 1 0 63158 1 0 63159 1 0 M END