HMDB0049407 RDKit 3D TG(18:1(11Z)/18:2(9Z,12Z)/O-18:0) 168167 0 0 0 0 0 0 0 0999 V2000 2.1300 4.6015 -0.9282 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9818 3.6950 -1.8558 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0849 2.5920 -2.2674 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5343 1.5625 -3.1984 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6322 0.6374 -2.9025 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9682 1.1549 -2.6370 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0280 0.8589 -3.4196 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0446 0.0326 -4.5923 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8100 -1.2068 -4.6335 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4588 -1.7694 -3.6681 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6181 -1.3701 -2.2870 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0996 -2.5418 -1.4115 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2069 -2.1863 0.0593 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7487 -3.3625 0.8571 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7869 -3.1446 2.3622 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3419 -4.3908 3.0697 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3086 -4.3487 4.5439 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3989 -3.3525 5.1420 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9046 -2.5261 5.9826 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0670 -3.2469 4.8741 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1943 -2.2779 5.4953 C 0 0 2 0 0 0 0 0 0 0 0 0 2.1692 -2.9112 6.3277 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1851 -3.6774 5.8239 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1452 -3.0194 5.1602 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9104 -3.9844 4.7053 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6026 -4.9334 3.6244 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5256 -4.4756 2.2379 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3945 -3.4136 1.7827 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1811 -3.1397 0.2895 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4244 -4.2682 -0.6182 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0437 -3.9464 -2.0589 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4365 -3.5668 -2.1359 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2400 -4.7081 -1.6273 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7238 -4.5397 -1.6137 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2564 -4.3356 -2.9969 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7364 -4.2358 -3.0385 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4377 -3.1886 -2.3027 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3088 -1.7683 -2.6293 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9579 -1.1251 -2.5911 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1901 0.3608 -2.9408 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8887 1.1010 -2.9461 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7902 -1.2381 4.5057 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8258 -0.3279 4.9840 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3010 0.6741 4.2096 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7468 0.7631 3.0243 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2649 1.6464 4.6274 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0771 2.5697 3.4788 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1609 3.5320 3.8084 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4588 2.8428 4.1894 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5604 3.8005 4.4751 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9127 4.6628 3.2710 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3687 3.7469 2.1731 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7705 4.4339 0.9012 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6120 5.2190 0.2770 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4812 4.3250 -0.0385 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9761 4.1403 -1.2319 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4737 4.8050 -2.4330 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3256 5.6336 -2.9856 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6502 6.3579 -4.2477 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0013 5.3577 -5.3346 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3263 6.0644 -6.6426 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6507 5.0482 -7.6999 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4720 4.5484 0.1106 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0721 4.2686 -0.9279 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0951 5.6449 -1.3310 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8383 3.4168 -1.2513 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2465 4.3402 -2.7426 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7401 2.0799 -1.3167 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1407 3.0559 -2.6874 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7856 2.0482 -4.2046 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6124 0.9030 -3.3944 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3163 -0.0815 -2.0637 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6954 -0.0860 -3.7759 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2193 1.7980 -1.7857 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0055 1.3542 -3.1507 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5780 0.6963 -5.4162 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0501 -0.1004 -5.1081 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8265 -1.7191 -5.6653 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9809 -2.7339 -3.9807 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7346 -1.3691 -2.0566 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2473 -0.4399 -1.9128 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0977 -2.8451 -1.7153 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7863 -3.3852 -1.6065 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6367 -1.2598 0.2806 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2675 -1.9181 0.2404 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7322 -3.7025 0.5895 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4309 -4.2230 0.5772 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1766 -2.2592 2.6199 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8379 -2.9095 2.6339 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0812 -5.1923 2.7752 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3733 -4.7846 2.6943 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8971 -5.3567 4.8839 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3100 -4.3192 5.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8978 -1.7259 6.2151 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6445 -2.0580 6.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6993 -3.4275 7.2032 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3670 -2.2896 5.8236 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5980 -2.5745 4.2811 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3627 -4.5088 5.6093 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8166 -3.3739 4.3510 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3151 -5.8053 3.7433 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4152 -5.3761 3.8816 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5841 -4.2835 1.8796 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2089 -5.4117 1.6331 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4449 -3.4923 2.0563 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0158 -2.4347 2.2410 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8373 -2.2717 -0.0085 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8640 -2.7625 0.1875 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5281 -4.4986 -0.6734 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0737 -5.1957 -0.3346 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6926 -3.1952 -2.5184 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1577 -4.8924 -2.6331 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6573 -2.6053 -1.6836 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6371 -3.4442 -3.2277 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9603 -4.9576 -0.5626 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9720 -5.6668 -2.1732 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9407 -3.6760 -0.9414 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2442 -5.4004 -1.1226 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0264 -5.3400 -3.5219 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6769 -3.6303 -3.5867 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9899 -4.0806 -4.1440 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1516 -5.2683 -2.8633 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2984 -3.2736 -1.1758 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5562 -3.4351 -2.3901 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9366 -1.1547 -1.8893 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8065 -1.5111 -3.6088 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4558 -1.2631 -1.6408 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2863 -1.4643 -3.4049 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5954 0.3370 -3.9718 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9147 0.7558 -2.2084 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1170 2.1723 -2.6892 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1591 0.6738 -2.2220 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4150 1.1216 -3.9366 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6903 -0.5557 4.2702 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5687 -1.6903 3.5436 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5480 2.2465 5.5156 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6916 1.0974 4.8634 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3176 1.9693 2.5749 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8515 3.1612 3.2589 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7887 4.1627 4.6712 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3772 4.2291 2.9976 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2502 2.3055 5.1648 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6575 2.0532 3.4727 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4683 3.2564 4.7634 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2419 4.4453 5.3187 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7993 5.2719 3.5933 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1066 5.3488 3.0167 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5303 3.0476 1.9504 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2123 3.1522 2.5564 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1722 3.7268 0.1470 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6071 5.1245 1.1635 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9443 5.8774 -0.5143 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2519 5.9013 1.1073 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0003 3.7441 0.7743 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1248 3.4381 -1.3400 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4133 5.3357 -2.3655 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6436 4.0007 -3.2125 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8994 6.2714 -2.1980 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5231 4.8732 -3.2235 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5118 7.0313 -4.0661 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7661 6.9621 -4.5161 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8868 4.7562 -5.0751 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1434 4.6631 -5.4983 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1781 6.7637 -6.4429 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4400 6.7027 -6.9071 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3233 5.5037 -8.4635 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1621 4.1813 -7.2533 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7012 4.7221 -8.1806 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 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 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 1 0 37 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 21 42 1 0 42 43 1 0 43 44 1 0 44 45 2 0 44 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 2 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 12 83 1 0 13 84 1 0 13 85 1 0 14 86 1 0 14 87 1 0 15 88 1 0 15 89 1 0 16 90 1 0 16 91 1 0 17 92 1 0 17 93 1 0 21 94 1 1 22 95 1 0 22 96 1 0 24 97 1 0 24 98 1 0 25 99 1 0 25100 1 0 26101 1 0 26102 1 0 27103 1 0 27104 1 0 28105 1 0 28106 1 0 29107 1 0 29108 1 0 30109 1 0 30110 1 0 31111 1 0 31112 1 0 32113 1 0 32114 1 0 33115 1 0 33116 1 0 34117 1 0 34118 1 0 35119 1 0 35120 1 0 36121 1 0 36122 1 0 37123 1 0 37124 1 0 38125 1 0 38126 1 0 39127 1 0 39128 1 0 40129 1 0 40130 1 0 41131 1 0 41132 1 0 41133 1 0 42134 1 0 42135 1 0 46136 1 0 46137 1 0 47138 1 0 47139 1 0 48140 1 0 48141 1 0 49142 1 0 49143 1 0 50144 1 0 50145 1 0 51146 1 0 51147 1 0 52148 1 0 52149 1 0 53150 1 0 53151 1 0 54152 1 0 54153 1 0 55154 1 0 56155 1 0 57156 1 0 57157 1 0 58158 1 0 58159 1 0 59160 1 0 59161 1 0 60162 1 0 60163 1 0 61164 1 0 61165 1 0 62166 1 0 62167 1 0 62168 1 0 M END