HMDB0055114 RDKit 3D TG(22:5(4Z,7Z,10Z,13Z,16Z)/20:4(8Z,11Z,14Z,17Z)/22:5(7Z,10Z,13Z,16Z,19Z)) 175174 0 0 0 0 0 0 0 0999 V2000 -11.2210 -4.7781 2.4457 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8997 -3.3636 1.9524 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4069 -2.4362 2.9630 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6969 -1.5818 3.6505 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2370 -1.4349 3.4966 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8505 -0.0640 3.0875 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2145 0.1911 1.9876 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7912 -0.7978 0.9968 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3452 -0.9006 0.7937 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7571 -0.6909 -0.3300 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5086 -0.3045 -1.5749 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8132 0.9731 -1.9745 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1925 1.0751 -3.0908 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1076 -0.0458 -4.0929 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5816 0.5699 -5.3742 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7289 0.5190 -6.4112 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4461 -0.1169 -6.2590 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3055 0.8972 -6.4117 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0023 0.1617 -6.1241 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1820 1.1021 -6.1673 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4240 0.3146 -5.7881 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6631 1.0821 -5.7186 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5378 0.9631 -6.6085 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9395 1.9683 -4.6730 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1509 2.6712 -4.5897 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0563 3.5916 -3.3488 C 0 0 2 0 0 0 0 0 0 0 0 0 5.3675 4.2016 -3.0943 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4238 4.9463 -1.8719 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6348 5.5768 -1.5807 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5338 5.3580 -2.5014 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0393 6.3972 -0.4828 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3977 6.2409 0.8615 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9579 6.4602 0.7955 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0727 5.5992 1.2360 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4684 4.3100 1.8504 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9872 4.3610 3.2719 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1633 3.5648 3.8719 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5451 2.4182 3.1849 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0604 2.4843 3.1906 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2995 1.5828 3.8234 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0147 0.5083 4.5376 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7724 -0.8475 4.0858 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4299 -1.8430 4.8432 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2052 -1.8664 6.2941 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0181 -2.4751 6.7890 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9436 -1.9661 7.5225 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0070 -0.6218 8.0415 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3470 0.0208 7.7484 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7704 0.0653 6.3423 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8708 0.8143 5.4229 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7100 2.2605 5.7926 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6970 2.6705 -2.2945 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4113 2.7348 -1.7685 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6450 3.6291 -2.2741 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8224 1.9107 -0.7149 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6789 0.7400 -0.3216 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8858 -0.1805 -1.5165 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6696 -1.3766 -1.1393 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0527 -1.1464 -0.6159 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6288 -2.5247 -0.2732 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9941 -2.4767 0.2497 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9585 -3.1070 -0.3745 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9066 -3.9126 -1.5919 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4125 -5.2719 -1.2755 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7611 -6.3768 -1.4554 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4082 -6.5346 -2.0007 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5836 -7.2587 -1.0186 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4720 -6.8659 -0.4826 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7854 -5.5789 -0.7609 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4100 -5.8463 -1.3013 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2924 -5.4675 -0.7478 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2559 -4.7149 0.5021 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4415 -5.5422 1.5299 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3266 -4.7530 3.5400 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1789 -5.0789 1.9975 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3777 -5.4409 2.1332 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8404 -3.3112 1.7264 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4384 -3.2395 0.9656 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5095 -2.4690 3.1545 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2156 -0.9353 4.3852 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7753 -1.5819 4.5705 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8119 -2.1924 2.8685 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1297 0.7898 3.7848 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9766 1.2573 1.7957 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3959 -0.7310 0.0513 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0898 -1.8264 1.3627 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7636 -1.1819 1.6878 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6488 -0.7771 -0.4641 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5455 0.0012 -1.3950 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4128 -1.1314 -2.2432 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8304 1.8377 -1.3087 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6664 2.0047 -3.4117 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0603 -0.3269 -4.0693 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8072 -0.8539 -3.8903 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5400 1.0337 -5.4889 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0128 0.9586 -7.3569 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3046 -0.7320 -7.2563 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2694 -0.8816 -5.5290 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2308 1.2725 -7.4516 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4380 1.7521 -5.7468 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8819 -0.6693 -6.8531 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0531 -0.3407 -5.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0424 1.9583 -5.5000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2754 1.4682 -7.2062 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5376 -0.4807 -6.5649 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2516 -0.2539 -4.8359 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9280 1.9101 -4.2935 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4514 3.2218 -5.4769 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2096 4.2380 -3.5452 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5535 4.9861 -3.8891 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2082 3.4866 -3.1529 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1601 6.2524 -0.2819 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0065 7.4836 -0.8168 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8593 7.0802 1.4983 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7474 5.2777 1.2546 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6024 7.4272 0.3439 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9991 5.8333 1.1534 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1037 3.4538 1.2735 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5485 4.1873 1.9318 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3943 5.1866 3.9021 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8989 3.7314 4.9544 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9300 1.4389 3.4345 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8008 2.5053 2.0695 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5226 3.2849 2.6645 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7606 1.6592 3.7834 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0595 0.7534 4.7645 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4632 0.5439 5.5819 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8917 -1.0675 3.0065 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2718 -2.8593 4.3671 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4679 -0.9213 6.8264 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0477 -2.5652 6.6823 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1259 -3.5649 6.4496 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7911 -2.6412 7.7806 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8769 -0.5728 9.1518 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2478 0.0793 7.6376 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3825 1.0149 8.2438 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1015 -0.6076 8.3063 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7715 0.5682 6.3042 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8581 -0.9793 5.9427 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3603 0.7817 4.4103 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8857 0.3097 5.2967 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8703 2.4790 6.4629 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6827 2.6627 6.1697 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5414 2.8308 4.8398 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4716 2.5166 0.1574 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8735 1.4686 -1.1845 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6746 1.1037 0.0303 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1877 0.1618 0.4746 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8455 -0.5281 -1.7827 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3330 0.3675 -2.3827 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0691 -1.9455 -0.3673 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7633 -2.0934 -2.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6531 -0.6804 -1.4372 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1042 -0.4682 0.2445 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9507 -2.9339 0.5438 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4808 -3.1369 -1.1461 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1912 -1.9009 1.1808 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9591 -3.0044 0.0973 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9927 -3.9002 -2.1685 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6932 -3.4773 -2.2909 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4476 -5.2593 -0.8522 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2925 -7.3045 -1.1647 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9314 -5.6073 -2.2929 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4472 -7.2196 -2.9303 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9526 -8.2564 -0.6937 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9727 -7.5338 0.2443 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3038 -5.0999 -1.6440 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7826 -4.9203 0.1076 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3511 -6.4177 -2.2475 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3277 -5.7101 -1.2208 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2199 -4.5720 0.9797 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6762 -3.7603 0.4264 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0534 -4.9143 2.3319 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0476 -6.3468 1.9529 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4286 -6.0175 1.0253 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 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 2 0 34 35 1 0 35 36 1 0 36 37 2 0 37 38 1 0 38 39 1 0 39 40 2 0 40 41 1 0 41 42 1 0 42 43 2 0 43 44 1 0 44 45 1 0 45 46 2 0 46 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 26 52 1 0 52 53 1 0 53 54 2 0 53 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 2 0 62 63 1 0 63 64 1 0 64 65 2 0 65 66 1 0 66 67 1 0 67 68 2 0 68 69 1 0 69 70 1 0 70 71 2 0 71 72 1 0 72 73 1 0 1 74 1 0 1 75 1 0 1 76 1 0 2 77 1 0 2 78 1 0 3 79 1 0 4 80 1 0 5 81 1 0 5 82 1 0 6 83 1 0 7 84 1 0 8 85 1 0 8 86 1 0 9 87 1 0 10 88 1 0 11 89 1 0 11 90 1 0 12 91 1 0 13 92 1 0 14 93 1 0 14 94 1 0 15 95 1 0 16 96 1 0 17 97 1 0 17 98 1 0 18 99 1 0 18100 1 0 19101 1 0 19102 1 0 20103 1 0 20104 1 0 21105 1 0 21106 1 0 25107 1 0 25108 1 0 26109 1 6 27110 1 0 27111 1 0 31112 1 0 31113 1 0 32114 1 0 32115 1 0 33116 1 0 34117 1 0 35118 1 0 35119 1 0 36120 1 0 37121 1 0 38122 1 0 38123 1 0 39124 1 0 40125 1 0 41126 1 0 41127 1 0 42128 1 0 43129 1 0 44130 1 0 44131 1 0 45132 1 0 46133 1 0 47134 1 0 47135 1 0 48136 1 0 48137 1 0 49138 1 0 49139 1 0 50140 1 0 50141 1 0 51142 1 0 51143 1 0 51144 1 0 55145 1 0 55146 1 0 56147 1 0 56148 1 0 57149 1 0 57150 1 0 58151 1 0 58152 1 0 59153 1 0 59154 1 0 60155 1 0 60156 1 0 61157 1 0 62158 1 0 63159 1 0 63160 1 0 64161 1 0 65162 1 0 66163 1 0 66164 1 0 67165 1 0 68166 1 0 69167 1 0 69168 1 0 70169 1 0 71170 1 0 72171 1 0 72172 1 0 73173 1 0 73174 1 0 73175 1 0 M END