HMDB0054036 RDKit 3D TG(20:4(5Z,8Z,11Z,14Z)/16:0/22:4(7Z,10Z,13Z,16Z)) 169168 0 0 0 0 0 0 0 0999 V2000 -0.8106 -1.6072 5.4934 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4926 -2.9673 5.3549 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5561 -2.9269 4.2904 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2345 -4.2535 4.1931 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1953 -5.3288 3.7916 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9055 -6.6081 3.6967 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0434 -7.4377 2.7227 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5182 -7.3680 1.3678 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6477 -6.2815 0.9765 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9056 -5.3764 0.0583 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1797 -5.3918 -0.6847 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8092 -4.0405 -0.4486 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0828 -3.2666 -1.4554 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8390 -3.5757 -2.8975 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1323 -3.5414 -3.6402 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4153 -2.7770 -4.6403 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4103 -1.8017 -5.1774 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1197 -2.0943 -6.6167 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1197 -1.3108 -7.3284 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2026 0.1356 -7.5218 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1452 1.0732 -6.3900 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8957 0.9466 -5.5838 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4795 -0.1571 -5.1595 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0936 2.0430 -5.2402 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0857 1.9130 -4.4555 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2459 1.4809 -3.0492 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.2389 2.4309 -2.4222 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7590 3.7650 -2.3040 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6609 4.6390 -1.7308 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8018 4.1260 -1.3472 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5232 6.0501 -1.5018 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3791 6.8162 -2.0367 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2080 6.6429 -3.5096 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6966 7.6111 -4.1490 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7979 7.4119 -4.7381 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5201 6.0994 -4.9436 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8840 6.4007 -4.3676 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4826 5.7937 -3.4476 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9867 4.5956 -2.6925 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0626 3.5854 -2.9092 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8788 2.4355 -3.4355 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6260 1.8597 -3.9220 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7327 1.5598 -5.3655 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6879 0.3415 -5.8479 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5368 -0.8285 -4.9577 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2906 -1.6300 -5.2192 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2940 -2.1496 -6.6408 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0257 -2.9947 -6.8434 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0614 -4.1543 -5.8517 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8932 1.3216 -2.2081 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1501 0.1413 -1.5747 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3142 -0.8105 -1.7941 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2817 -0.0971 -0.6835 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9332 0.1981 0.7651 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0677 -0.1170 1.7176 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6169 0.2604 3.0956 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6093 -0.0382 4.1841 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0271 0.4467 5.5101 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9042 0.1557 6.6852 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3214 0.6943 7.9718 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9407 0.1327 8.2759 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3953 0.7092 9.5522 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0274 0.1722 9.8329 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0156 -1.3244 10.0009 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4565 -1.6921 10.3087 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6155 -3.1790 10.5011 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7686 -3.6965 11.6411 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1822 -1.4075 4.6147 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6174 -0.8604 5.5997 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1502 -1.6768 6.3793 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9468 -3.2897 6.2929 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7390 -3.7306 5.0556 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0708 -2.6288 3.3305 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2701 -2.1192 4.6124 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0044 -4.2640 3.3977 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6518 -4.5181 5.1852 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4256 -5.4555 4.5858 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7486 -4.9264 2.8903 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4140 -6.8990 4.6559 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6647 -8.3587 2.9471 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3675 -7.5999 0.6752 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8699 -8.3532 1.2416 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6320 -6.1954 1.4567 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1614 -4.5825 -0.1672 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0800 -5.6778 -1.7173 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8907 -6.1591 -0.2444 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0128 -3.7509 0.5662 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5322 -2.2825 -1.2421 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0612 -2.9037 -3.2990 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4309 -4.5910 -3.0529 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9485 -4.2353 -3.3199 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3951 -2.8199 -5.1298 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5260 -1.8054 -4.5992 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9704 -0.8075 -5.1146 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1033 -1.9833 -7.1832 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9387 -3.2061 -6.6949 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0527 -1.5789 -6.9956 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0849 -1.7573 -8.3985 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1454 0.3810 -8.1012 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3265 0.4180 -8.2060 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9975 1.1102 -5.7278 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0627 2.1141 -6.8506 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5388 2.9295 -4.4608 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8235 1.2419 -4.9378 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7557 0.5108 -3.0844 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1390 2.4538 -3.0271 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4742 2.0783 -1.4043 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4512 6.5810 -1.9000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6445 6.2462 -0.3796 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5722 6.6454 -1.4722 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5960 7.9124 -1.8652 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0784 5.5903 -3.7067 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2073 6.7581 -4.0222 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3269 8.7002 -4.0940 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3170 8.3203 -5.1673 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5716 5.8121 -5.9936 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9775 5.3416 -4.3615 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4041 7.2905 -4.8500 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5070 6.1769 -3.1448 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0235 4.2704 -3.0187 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9982 4.9089 -1.6074 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1105 3.8788 -2.5765 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7765 1.7658 -3.5421 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7773 2.5986 -3.7759 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3947 0.9911 -3.2807 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8498 2.4048 -6.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7601 0.1739 -6.9551 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3859 -1.5474 -5.3000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7501 -0.6716 -3.8989 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3111 -2.5359 -4.5515 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3554 -1.0920 -4.9962 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2726 -1.3219 -7.3740 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1565 -2.7945 -6.8495 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0069 -3.3448 -7.8767 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1647 -2.3646 -6.6188 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3605 -4.9452 -6.1690 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7707 -3.8192 -4.8481 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0886 -4.5781 -5.8121 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1393 0.5623 -1.0009 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6935 -1.1221 -0.7126 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9912 -0.2493 1.0696 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7809 1.3111 0.8072 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3710 -1.1856 1.6509 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9686 0.4679 1.4498 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3862 1.3613 3.0799 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6585 -0.2535 3.2967 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9529 -1.0655 4.2134 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4913 0.6182 3.9910 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9047 1.5685 5.4742 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9960 0.0499 5.6097 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1444 -0.9208 6.8029 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8716 0.6799 6.5387 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9947 0.5805 8.8254 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2079 1.8041 7.8146 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9789 -0.9535 8.3399 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2445 0.4528 7.4509 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2810 1.8244 9.4164 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0814 0.5377 10.4156 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6860 0.4011 8.9917 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4421 0.6400 10.7263 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6424 -1.6321 10.8263 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2895 -1.7775 9.0267 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7917 -1.1343 11.1960 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1159 -1.4095 9.4599 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4394 -3.7444 9.5759 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6766 -3.3668 10.7843 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3082 -3.5535 11.4705 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9610 -4.7622 11.7715 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0886 -3.1713 12.5576 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 2 0 13 14 1 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 1 0 18 19 1 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 2 0 35 36 1 0 36 37 1 0 37 38 2 0 38 39 1 0 39 40 1 0 40 41 2 0 41 42 1 0 42 43 1 0 43 44 2 0 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 26 50 1 0 50 51 1 0 51 52 2 0 51 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 61 62 1 0 62 63 1 0 63 64 1 0 64 65 1 0 65 66 1 0 66 67 1 0 1 68 1 0 1 69 1 0 1 70 1 0 2 71 1 0 2 72 1 0 3 73 1 0 3 74 1 0 4 75 1 0 4 76 1 0 5 77 1 0 5 78 1 0 6 79 1 0 7 80 1 0 8 81 1 0 8 82 1 0 9 83 1 0 10 84 1 0 11 85 1 0 11 86 1 0 12 87 1 0 13 88 1 0 14 89 1 0 14 90 1 0 15 91 1 0 16 92 1 0 17 93 1 0 17 94 1 0 18 95 1 0 18 96 1 0 19 97 1 0 19 98 1 0 20 99 1 0 20100 1 0 21101 1 0 21102 1 0 25103 1 0 25104 1 0 26105 1 6 27106 1 0 27107 1 0 31108 1 0 31109 1 0 32110 1 0 32111 1 0 33112 1 0 33113 1 0 34114 1 0 35115 1 0 36116 1 0 36117 1 0 37118 1 0 38119 1 0 39120 1 0 39121 1 0 40122 1 0 41123 1 0 42124 1 0 42125 1 0 43126 1 0 44127 1 0 45128 1 0 45129 1 0 46130 1 0 46131 1 0 47132 1 0 47133 1 0 48134 1 0 48135 1 0 49136 1 0 49137 1 0 49138 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 58150 1 0 59151 1 0 59152 1 0 60153 1 0 60154 1 0 61155 1 0 61156 1 0 62157 1 0 62158 1 0 63159 1 0 63160 1 0 64161 1 0 64162 1 0 65163 1 0 65164 1 0 66165 1 0 66166 1 0 67167 1 0 67168 1 0 67169 1 0 M END