HMDB0007844 RDKit 3D DG(24:1(15Z)/22:5(4Z,7Z,10Z,13Z,16Z)/0:0) 138137 0 0 0 0 0 0 0 0999 V2000 -19.6373 2.5260 -0.0668 C 0 0 0 0 0 0 0 0 0 0 0 0 -19.2188 2.6085 1.3857 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.1636 1.5675 1.6711 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.9490 1.7708 0.8007 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.8757 0.7307 1.1064 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.4194 0.8331 2.4988 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.1807 1.0587 2.8743 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0471 1.2380 1.9144 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9768 0.2671 2.1549 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5817 -0.6231 1.2852 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1146 -0.8078 -0.0328 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3785 -0.6515 -1.2518 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1615 -0.2623 -1.4202 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1572 0.1495 -0.4230 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9938 -0.7793 -0.4313 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8062 -0.3133 -0.7689 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4365 1.0237 -1.1515 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9259 1.3373 -2.4656 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7519 0.5685 -3.4924 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0600 -0.8618 -3.5288 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9076 -1.7722 -3.8317 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7583 -1.6535 -2.9397 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6830 -1.0710 -3.3481 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6789 -2.1248 -1.6201 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4878 -1.9619 -0.8686 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.8135 -0.9641 0.2539 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6584 -0.7874 1.0236 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9698 -3.2058 -0.2360 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7386 -2.8793 0.3815 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1033 -3.7173 1.0243 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2464 -4.9441 1.1078 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3849 -3.2270 1.6009 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3054 -2.7450 0.5079 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8045 -1.5560 -0.2370 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6880 -0.3319 0.6585 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0923 0.0370 1.1840 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9596 0.3991 0.0411 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3820 0.7504 0.5129 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0434 -0.3895 1.1734 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3987 -0.2122 1.7168 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5108 0.2385 0.8447 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4959 1.6564 0.3933 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6460 1.9442 -0.5647 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0114 1.7006 0.0047 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9752 2.0200 -1.0689 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8154 1.1578 -1.5578 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9726 -0.2479 -1.1572 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4332 -0.4016 -0.6942 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6753 0.5280 0.4549 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0796 0.4660 0.9840 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0573 0.8485 -0.1098 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4706 0.8021 0.4059 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8818 -0.5560 0.8980 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3157 -0.5236 1.4037 C 0 0 0 0 0 0 0 0 0 0 0 0 -20.6793 2.8836 -0.1224 H 0 0 0 0 0 0 0 0 0 0 0 0 -19.5629 1.5134 -0.4661 H 0 0 0 0 0 0 0 0 0 0 0 0 -19.0181 3.2425 -0.6579 H 0 0 0 0 0 0 0 0 0 0 0 0 -20.0958 2.3411 2.0226 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.8938 3.6246 1.6074 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.8807 1.5395 2.7278 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.6062 0.5686 1.3873 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.5563 2.7784 0.9580 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.2175 1.6674 -0.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.3874 -0.2690 0.9884 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.1260 0.7880 0.3329 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.1386 0.7157 3.3340 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9071 1.1281 3.9377 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5954 2.2433 2.2557 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3297 1.4305 0.8910 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4354 0.2523 3.1339 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7683 -1.3569 1.5870 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1107 -0.2336 -0.0887 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5713 -1.8891 -0.1112 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9693 -0.9120 -2.1957 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8276 -0.2381 -2.4979 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8388 1.2165 -0.6220 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5593 0.1901 0.5828 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1184 -1.8407 -0.1574 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0110 -1.1102 -0.7079 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6006 1.3204 -0.3647 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1827 1.8228 -0.8740 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6182 2.4145 -2.6653 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3259 1.0272 -4.4477 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6704 -0.9381 -4.5520 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7955 -1.2733 -2.8651 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2519 -2.8494 -3.8910 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5478 -1.5859 -4.8888 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7288 -1.4861 -1.5312 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6093 -1.3168 0.9232 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1345 0.0063 -0.1757 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5901 0.1965 1.2268 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7350 -3.9861 -1.0078 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6809 -3.5922 0.5228 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2172 -2.3937 2.3060 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8917 -4.0436 2.1837 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3506 -3.5932 -0.2370 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3432 -2.6298 0.8713 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4511 -1.3629 -1.1328 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8087 -1.7570 -0.6523 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3395 0.5023 0.0278 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0585 -0.5689 1.5033 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9451 0.9319 1.8137 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4456 -0.7835 1.8118 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0865 -0.3645 -0.7442 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5659 1.3098 -0.4958 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3834 1.6571 1.0924 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9059 0.9257 -0.4977 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1043 -1.2694 0.4393 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4050 -0.8011 2.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2958 0.5033 2.6130 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6896 -1.1963 2.2027 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5862 -0.4214 -0.0807 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4989 0.0608 1.3776 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5812 2.0391 -0.0404 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7661 2.3240 1.3016 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5302 1.3180 -1.4909 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5932 3.0013 -0.8999 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1100 0.6784 0.3691 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1633 2.4222 0.8474 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9914 3.0442 -1.4855 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5066 1.4806 -2.3700 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3739 -0.5685 -0.3019 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8119 -0.9150 -2.0469 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5724 -1.4609 -0.4295 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0766 -0.1690 -1.5633 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4408 1.5839 0.1312 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9855 0.2586 1.2803 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1701 1.2201 1.7957 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2751 -0.5696 1.3170 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8383 1.8898 -0.4278 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9969 0.1366 -0.9626 H 0 0 0 0 0 0 0 0 0 0 0 0 19.1473 1.0625 -0.4449 H 0 0 0 0 0 0 0 0 0 0 0 0 18.5827 1.5589 1.2098 H 0 0 0 0 0 0 0 0 0 0 0 0 18.2381 -0.8656 1.7641 H 0 0 0 0 0 0 0 0 0 0 0 0 18.8213 -1.2877 0.0947 H 0 0 0 0 0 0 0 0 0 0 0 0 20.6318 0.5331 1.6060 H 0 0 0 0 0 0 0 0 0 0 0 0 20.9793 -0.9804 0.6491 H 0 0 0 0 0 0 0 0 0 0 0 0 20.3954 -1.1306 2.3315 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 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 25 28 1 0 28 29 1 0 29 30 1 0 30 31 2 0 30 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 2 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 1 55 1 0 1 56 1 0 1 57 1 0 2 58 1 0 2 59 1 0 3 60 1 0 3 61 1 0 4 62 1 0 4 63 1 0 5 64 1 0 5 65 1 0 6 66 1 0 7 67 1 0 8 68 1 0 8 69 1 0 9 70 1 0 10 71 1 0 11 72 1 0 11 73 1 0 12 74 1 0 13 75 1 0 14 76 1 0 14 77 1 0 15 78 1 0 16 79 1 0 17 80 1 0 17 81 1 0 18 82 1 0 19 83 1 0 20 84 1 0 20 85 1 0 21 86 1 0 21 87 1 0 25 88 1 6 26 89 1 0 26 90 1 0 27 91 1 0 28 92 1 0 28 93 1 0 32 94 1 0 32 95 1 0 33 96 1 0 33 97 1 0 34 98 1 0 34 99 1 0 35100 1 0 35101 1 0 36102 1 0 36103 1 0 37104 1 0 37105 1 0 38106 1 0 38107 1 0 39108 1 0 39109 1 0 40110 1 0 40111 1 0 41112 1 0 41113 1 0 42114 1 0 42115 1 0 43116 1 0 43117 1 0 44118 1 0 44119 1 0 45120 1 0 46121 1 0 47122 1 0 47123 1 0 48124 1 0 48125 1 0 49126 1 0 49127 1 0 50128 1 0 50129 1 0 51130 1 0 51131 1 0 52132 1 0 52133 1 0 53134 1 0 53135 1 0 54136 1 0 54137 1 0 54138 1 0 M END