HMDB0055924 RDKit 3D TG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z)/O-18:0) 170169 0 0 0 0 0 0 0 0999 V2000 -1.1826 2.8104 1.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5658 3.0754 2.3888 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7469 1.8764 3.2084 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2275 1.1677 3.7281 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6878 1.5174 3.5314 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2267 1.7176 4.8904 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2197 1.0334 5.3741 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9310 -0.0231 4.6207 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7947 -1.2846 5.3568 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3204 -2.4119 4.9306 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8024 -2.6761 3.5723 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4272 -3.1577 3.6859 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1407 -4.4161 3.3209 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1338 -5.3041 2.8306 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1767 -5.9587 1.5422 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4100 -5.9560 0.5014 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1692 -5.1401 0.4711 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0196 -6.0000 0.3663 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8742 -6.0125 -0.5985 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7603 -5.1343 -1.7653 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9910 -4.2126 -1.8660 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8605 -3.3515 -3.0711 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0812 -3.6739 -4.0002 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5850 -2.1826 -3.1904 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4429 -1.3824 -4.3430 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1510 -0.0674 -4.1790 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.8407 0.8438 -5.3190 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5537 0.9685 -5.6556 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6783 1.4095 -4.7257 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2864 1.5151 -5.3638 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7759 1.9004 -4.3682 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0744 2.0362 -5.1436 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2674 2.3446 -4.2609 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4281 2.5320 -5.2078 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7446 2.7782 -4.5884 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6297 4.0177 -3.6341 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9629 4.2403 -3.1324 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4468 5.2354 -2.1842 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1820 6.6601 -2.3434 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9786 7.3187 -1.8502 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6093 6.8562 -1.9735 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2304 5.6860 -1.0793 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3082 6.0623 0.4065 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9064 4.8441 1.2025 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8351 3.6888 0.9480 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4393 2.4707 1.7798 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5295 -0.1624 -3.9974 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2057 0.1832 -2.8719 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5760 0.6118 -1.8785 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.6944 0.0817 -2.7490 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1587 0.2077 -1.3113 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6208 -0.9607 -0.5634 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9559 -0.9675 0.9204 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3829 -2.2285 1.4752 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5428 -2.4198 2.9588 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9151 -3.7871 3.2435 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8706 -4.1608 4.6378 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7647 -4.4214 5.3020 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4489 -4.3440 4.6342 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6100 -3.3428 5.3307 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1726 -2.2668 4.7713 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4330 -1.8666 3.3936 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1057 -1.7661 2.6428 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3382 -1.2852 1.2284 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0074 -1.2203 0.5284 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1422 -0.7319 -0.9014 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5209 2.1355 0.4162 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1534 2.2917 1.1140 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2981 3.7399 0.4408 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4290 3.4553 2.2451 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2012 3.9422 2.7742 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7766 1.5356 3.4082 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0323 0.2989 4.3384 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8212 2.4719 2.9976 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1732 0.7303 2.9348 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7089 2.5098 5.4728 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5419 1.2729 6.4219 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7861 -0.0462 3.5556 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0563 0.2449 4.7520 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1453 -1.2785 6.4231 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2775 -3.3049 5.6026 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5184 -3.2338 3.0022 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7917 -1.6488 3.0416 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6640 -2.4838 4.0617 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0869 -4.7594 3.4544 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0555 -6.2263 3.5932 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2018 -5.0096 3.1510 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1083 -6.6400 1.4135 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6636 -6.5710 -0.4099 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2899 -4.5462 -0.5077 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0276 -4.4289 1.2678 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1807 -6.7003 1.2058 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7385 -6.7181 -0.5513 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8932 -4.5191 -1.8802 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9058 -5.8253 -2.6675 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0912 -3.5670 -0.9817 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8497 -4.9277 -1.9670 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0038 -1.9238 -5.1513 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4017 -1.2248 -4.6174 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7580 0.4359 -3.2316 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3064 1.8633 -5.1641 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3965 0.4837 -6.2495 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6058 0.7591 -3.8624 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9917 2.4488 -4.4385 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0027 0.5457 -5.7969 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3271 2.2776 -6.1782 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5229 2.9349 -4.0149 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8596 1.2109 -3.5332 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0130 2.8647 -5.8836 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3171 1.1087 -5.7220 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4411 1.5441 -3.5254 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0194 3.2961 -3.7358 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5011 1.6260 -5.8585 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1229 3.3471 -5.9146 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5709 2.9155 -5.2872 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9403 1.9434 -3.8675 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8219 3.6990 -2.9794 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3323 4.8292 -4.3496 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6520 4.2577 -4.0802 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3255 3.2005 -2.7240 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6072 5.0594 -2.1625 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2253 4.9323 -1.1079 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0599 7.1972 -1.7995 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4367 7.0104 -3.4169 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1397 7.5458 -0.7184 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9552 8.4233 -2.2202 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3723 6.5530 -3.0226 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8379 7.6527 -1.7538 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9515 4.8662 -1.1557 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2378 5.3335 -1.3677 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3692 6.3304 0.6300 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6146 6.8871 0.5730 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8957 4.5092 0.8235 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8621 5.0431 2.2902 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8043 3.3094 -0.0982 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8940 3.9207 1.1762 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4915 2.0786 1.3629 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4344 2.6571 2.8526 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2050 1.6890 1.5251 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9518 -0.9356 -3.1083 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2228 0.8060 -3.3830 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8048 1.1793 -0.9065 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2625 0.2490 -1.2675 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5545 -1.0926 -0.7160 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1454 -1.8740 -0.9750 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0712 -1.0441 1.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6435 -0.0652 1.4449 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7954 -3.1395 0.9874 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2888 -2.2551 1.2225 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6138 -2.4651 3.2337 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0833 -1.6161 3.5564 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6739 -4.5004 2.7428 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0420 -3.8699 2.6211 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8031 -4.2361 5.1915 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8234 -4.6977 6.3699 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9324 -5.3650 4.8222 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4982 -4.2626 3.5608 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3711 -3.5770 6.3920 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5479 -1.5985 5.3940 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1485 -2.4801 2.8418 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8597 -0.8172 3.3759 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6553 -2.7868 2.6032 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4573 -1.1088 3.1987 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0280 -1.9263 0.6888 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7636 -0.2550 1.2593 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2742 -0.5937 1.0422 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5992 -2.2703 0.4319 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7921 -1.4548 -1.6512 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6176 0.2365 -1.0085 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2297 -0.4797 -1.0515 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 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 41 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 26 47 1 0 47 48 1 0 48 49 2 0 48 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 2 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 1 67 1 0 1 68 1 0 1 69 1 0 2 70 1 0 2 71 1 0 3 72 1 0 4 73 1 0 5 74 1 0 5 75 1 0 6 76 1 0 7 77 1 0 8 78 1 0 8 79 1 0 9 80 1 0 10 81 1 0 11 82 1 0 11 83 1 0 12 84 1 0 13 85 1 0 14 86 1 0 14 87 1 0 15 88 1 0 16 89 1 0 17 90 1 0 17 91 1 0 18 92 1 0 19 93 1 0 20 94 1 0 20 95 1 0 21 96 1 0 21 97 1 0 25 98 1 0 25 99 1 0 26100 1 1 27101 1 0 27102 1 0 29103 1 0 29104 1 0 30105 1 0 30106 1 0 31107 1 0 31108 1 0 32109 1 0 32110 1 0 33111 1 0 33112 1 0 34113 1 0 34114 1 0 35115 1 0 35116 1 0 36117 1 0 36118 1 0 37119 1 0 37120 1 0 38121 1 0 38122 1 0 39123 1 0 39124 1 0 40125 1 0 40126 1 0 41127 1 0 41128 1 0 42129 1 0 42130 1 0 43131 1 0 43132 1 0 44133 1 0 44134 1 0 45135 1 0 45136 1 0 46137 1 0 46138 1 0 46139 1 0 50140 1 0 50141 1 0 51142 1 0 51143 1 0 52144 1 0 52145 1 0 53146 1 0 53147 1 0 54148 1 0 54149 1 0 55150 1 0 55151 1 0 56152 1 0 56153 1 0 57154 1 0 58155 1 0 59156 1 0 59157 1 0 60158 1 0 61159 1 0 62160 1 0 62161 1 0 63162 1 0 63163 1 0 64164 1 0 64165 1 0 65166 1 0 65167 1 0 66168 1 0 66169 1 0 66170 1 0 M END