HMDB0047731 RDKit 3D TG(14:1(9Z)/14:0/24:1(15Z)) 163162 0 0 0 0 0 0 0 0999 V2000 -2.3965 -5.7848 1.2914 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1349 -5.7087 -0.1780 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8748 -4.5887 -0.8616 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4853 -3.2355 -0.2773 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2594 -2.2261 -1.0218 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1105 -1.4158 -0.5094 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4621 -1.3624 0.9451 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9163 -1.6179 1.1531 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5570 -1.4965 2.4525 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0985 -2.2711 3.6249 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7670 -1.8407 4.1315 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2674 -2.6677 5.3187 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8585 -2.0703 5.5961 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0250 -2.2897 4.3796 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4003 -3.1828 3.5419 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8645 -1.5706 4.0985 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2432 -1.9052 2.8821 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9782 -1.0628 2.5507 C 0 0 1 0 0 0 0 0 0 0 0 0 1.3085 -1.4424 1.1090 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2465 -0.5526 0.6021 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7346 -0.5991 -0.6908 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3392 -1.4748 -1.4708 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7440 0.4405 -1.1042 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1587 1.2904 0.0344 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1186 2.3311 -0.2696 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9276 3.5509 -1.0227 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4508 3.8072 -2.3507 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0564 3.6384 -2.8027 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0822 4.4655 -1.9864 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6780 4.2814 -2.6390 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3004 5.0633 -1.8657 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7017 5.1142 -2.3095 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0726 5.7530 -3.5800 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6538 5.2057 -4.8750 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2267 3.8186 -5.1645 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7287 3.4323 -6.4904 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0555 2.3726 -6.8208 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6938 1.3567 -5.8073 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3591 -0.0017 -6.2443 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9951 -0.9714 -5.2100 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3437 -2.3809 -5.2878 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7023 -2.9040 -5.3648 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4479 -2.5026 -6.6012 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8390 -3.1331 -6.6215 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7761 -4.6323 -6.6122 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5115 0.2809 2.5980 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1137 1.2052 3.4770 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0395 0.7802 4.1704 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6570 2.5979 3.5623 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2887 3.2837 4.7399 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8540 2.6239 6.0062 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3658 3.2387 7.2636 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8360 3.2763 7.4540 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4094 1.8874 7.4704 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9101 1.8778 7.6969 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4117 0.4711 7.6999 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1797 -0.2672 6.4060 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9132 0.4676 5.2989 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7588 -0.1958 3.9565 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2774 -1.6087 3.9644 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -1.6810 4.3374 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3250 -6.8763 1.5804 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4179 -5.4699 1.5033 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6289 -5.1812 1.8259 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4726 -6.6677 -0.6581 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0541 -5.6451 -0.3577 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5575 -4.5618 -1.9358 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9682 -4.7279 -0.8471 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4061 -3.0958 -0.6450 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5143 -3.2090 0.7905 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0475 -2.1992 -2.1405 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6223 -0.7012 -1.1820 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8467 -2.1473 1.4518 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1557 -0.3883 1.3409 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5025 -0.9631 0.4262 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0844 -2.7006 0.7759 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7027 -1.5902 2.3557 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4470 -0.3884 2.7807 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8528 -2.0707 4.4501 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1305 -3.3819 3.4209 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0038 -0.7887 4.6040 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0248 -1.7057 3.3909 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1943 -3.7218 5.0174 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8773 -2.5731 6.2042 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4698 -2.6149 6.4523 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9596 -1.0041 5.8683 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9687 -1.9048 2.0522 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0542 -2.9928 2.9894 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7866 -1.3236 3.1875 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7462 -2.4633 1.1585 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3690 -1.4321 0.5096 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3843 0.9974 -1.9393 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6755 -0.1165 -1.4680 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2565 1.7728 0.5202 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5725 0.6700 0.8907 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5458 2.6501 0.7888 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1312 1.8200 -0.6300 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9728 4.1243 -0.9864 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3994 4.2873 -0.2609 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7884 4.8286 -2.7482 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0635 3.1271 -3.0641 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6793 2.6565 -3.0631 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0192 4.1778 -3.8322 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9644 4.1396 -0.9555 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2944 5.5323 -2.0368 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4718 3.1870 -2.4435 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7925 4.4918 -3.6837 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0815 6.1316 -1.7863 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3000 4.6982 -0.7842 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1501 4.0544 -2.3444 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3435 5.6129 -1.4966 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2253 5.8248 -3.6363 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8359 6.8881 -3.5233 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1862 5.8650 -5.6592 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6120 5.3300 -5.1278 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1130 3.1148 -4.3565 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3426 3.9816 -5.2720 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9688 4.1487 -7.2998 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7598 2.2500 -7.8785 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9040 1.5903 -4.7821 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3905 1.1595 -5.9190 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4277 0.3225 -6.2816 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0110 -0.1920 -7.2566 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2824 -0.4974 -4.2106 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1474 -0.9236 -5.1266 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8711 -2.8697 -4.3495 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6877 -2.8927 -6.0908 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3249 -2.7225 -4.4471 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6932 -4.0462 -5.4051 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5969 -1.4430 -6.7281 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8817 -2.8845 -7.4775 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4260 -2.7227 -5.7900 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3000 -2.8171 -7.5612 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7549 -5.0461 -6.9974 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6831 -5.0144 -5.5757 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0193 -5.0367 -7.3048 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9850 3.1214 2.6152 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4614 2.6196 3.6245 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4044 3.1635 4.6906 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0499 4.3707 4.7165 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0018 1.5442 6.0095 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2735 2.7531 6.0431 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8972 4.2654 7.3367 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8772 2.6775 8.1123 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3654 3.9393 6.7424 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0459 3.7075 8.4786 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9406 1.3153 8.2976 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2347 1.3754 6.5179 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4488 2.5178 6.9827 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1287 2.2996 8.7195 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9853 -0.0708 8.5668 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5268 0.4608 7.8629 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6577 -1.2787 6.5523 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1284 -0.4073 6.1450 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5603 1.5120 5.2192 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9938 0.4880 5.5401 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3954 0.3813 3.2377 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7464 -0.1990 3.5525 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1959 -1.9929 2.9097 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6351 -2.2399 4.5870 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1233 -2.7169 4.2414 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7818 -1.4545 5.4408 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3444 -0.9864 3.7621 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 2 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 2 0 14 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 2 0 21 23 1 0 23 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 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 2 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 18 46 1 0 46 47 1 0 47 48 2 0 47 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 1 62 1 0 1 63 1 0 1 64 1 0 2 65 1 0 2 66 1 0 3 67 1 0 3 68 1 0 4 69 1 0 4 70 1 0 5 71 1 0 6 72 1 0 7 73 1 0 7 74 1 0 8 75 1 0 8 76 1 0 9 77 1 0 9 78 1 0 10 79 1 0 10 80 1 0 11 81 1 0 11 82 1 0 12 83 1 0 12 84 1 0 13 85 1 0 13 86 1 0 17 87 1 0 17 88 1 0 18 89 1 1 19 90 1 0 19 91 1 0 23 92 1 0 23 93 1 0 24 94 1 0 24 95 1 0 25 96 1 0 25 97 1 0 26 98 1 0 26 99 1 0 27100 1 0 27101 1 0 28102 1 0 28103 1 0 29104 1 0 29105 1 0 30106 1 0 30107 1 0 31108 1 0 31109 1 0 32110 1 0 32111 1 0 33112 1 0 33113 1 0 34114 1 0 34115 1 0 35116 1 0 35117 1 0 36118 1 0 37119 1 0 38120 1 0 38121 1 0 39122 1 0 39123 1 0 40124 1 0 40125 1 0 41126 1 0 41127 1 0 42128 1 0 42129 1 0 43130 1 0 43131 1 0 44132 1 0 44133 1 0 45134 1 0 45135 1 0 45136 1 0 49137 1 0 49138 1 0 50139 1 0 50140 1 0 51141 1 0 51142 1 0 52143 1 0 52144 1 0 53145 1 0 53146 1 0 54147 1 0 54148 1 0 55149 1 0 55150 1 0 56151 1 0 56152 1 0 57153 1 0 57154 1 0 58155 1 0 58156 1 0 59157 1 0 59158 1 0 60159 1 0 60160 1 0 61161 1 0 61162 1 0 61163 1 0 M END