HMDB0289672 RDKit 3D PC(TXB2/P-18:1(11Z)) 143143 0 0 0 0 0 0 0 0999 V2000 -3.4913 -1.8682 -2.6522 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8621 -1.3219 -2.5341 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9204 -2.1077 -1.8833 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3741 -3.3891 -2.4138 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5464 -4.5947 -2.5227 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9983 -5.2306 -1.3024 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0437 -4.4607 -0.5307 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2324 -4.0901 0.7133 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4086 -4.3761 1.5138 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2030 -5.1891 2.7484 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2830 -4.6416 3.7727 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6783 -3.2818 4.2966 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7512 -2.8251 5.3868 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3128 -2.7176 5.0128 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5468 -2.2948 6.2628 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0005 -0.9604 6.7494 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7502 0.1524 5.8126 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7192 0.8157 5.2357 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4760 1.8466 4.3701 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1145 1.7631 3.0142 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.8135 1.0049 2.9129 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3328 0.8550 1.5993 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0568 0.1331 0.6659 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1580 -0.3730 1.0874 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6437 -0.0821 -0.7457 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1965 1.1304 -1.1553 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7262 1.1069 -2.5100 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7354 0.2872 -3.0629 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5643 -0.5411 -2.5393 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7083 -0.8768 -1.1478 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1001 -0.5675 -0.5969 C 0 0 1 0 0 0 0 0 0 0 0 0 4.1036 -0.9714 0.8516 C 0 0 1 0 0 0 0 0 0 0 0 0 3.0497 -0.3819 1.5480 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1105 -2.4678 0.9937 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3098 -2.9736 0.2179 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2983 -4.3608 0.2467 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3005 -2.5598 -1.0904 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2211 -1.2163 -1.3080 C 0 0 2 0 0 0 0 0 0 0 0 0 6.4751 -0.4690 -0.8807 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7755 0.6024 -1.5589 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9795 1.4170 -1.2334 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8183 0.7545 -0.3409 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7957 1.7198 -2.4653 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0396 2.4770 -3.5056 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5120 3.8065 -3.0792 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6214 4.7456 -2.6567 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0924 6.0869 -2.2256 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9084 3.2197 2.5710 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1210 3.8769 2.7625 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0413 5.4982 2.3487 P 0 0 0 0 0 5 0 0 0 0 0 0 -2.1561 6.2582 3.3412 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5985 6.1577 2.4733 O 0 0 0 0 0 1 0 0 0 0 0 0 -2.4502 5.6685 0.7891 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1862 7.0277 0.5818 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6483 7.2718 -0.7920 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5080 6.8882 -1.8675 N 0 0 0 0 0 4 0 0 0 0 0 0 -3.9191 6.8759 -1.5283 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3301 7.8518 -2.9604 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1651 5.5741 -2.4356 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3691 -2.7736 -3.2312 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0477 -1.9379 -1.6149 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8251 -1.0937 -3.1705 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1873 -0.9762 -3.5611 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7514 -0.3260 -1.9796 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6864 -2.2578 -0.7777 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8603 -1.4145 -1.8482 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3812 -3.6841 -1.9302 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7610 -3.1794 -3.4969 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2566 -5.3800 -3.0236 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7581 -4.5251 -3.3253 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8401 -5.6661 -0.6894 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4621 -6.1826 -1.6821 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0775 -4.1809 -1.0155 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4209 -3.5105 1.1915 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8834 -3.3863 1.8816 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2482 -4.8317 0.9626 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2204 -5.2744 3.2317 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8774 -6.2286 2.5134 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2565 -4.6662 3.3831 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2936 -5.3381 4.6428 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6986 -3.3135 4.7302 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6118 -2.5500 3.4497 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8539 -3.5079 6.2786 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1744 -1.8524 5.7611 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1659 -1.9227 4.2487 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9475 -3.6687 4.6262 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4489 -2.3537 6.1172 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7831 -3.0435 7.0671 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3996 -0.6865 7.6822 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0455 -0.9668 7.1253 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7247 0.4123 5.6216 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7545 0.5531 5.4390 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9346 1.3616 2.4066 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0821 1.4778 3.5813 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0393 -0.0166 3.3319 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1290 -0.9963 -0.9605 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5571 -0.0807 -1.4144 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5883 1.9776 -1.0934 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8914 1.4544 -0.3416 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2198 0.9219 -3.1830 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8620 2.2228 -2.8008 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8637 0.3549 -4.2273 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2718 -1.0898 -3.2595 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0297 -0.5423 -0.3999 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6732 -2.0146 -1.0842 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2937 0.5273 -0.6019 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0916 -0.6119 1.2668 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2721 0.5969 1.5999 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1677 -2.9379 0.6773 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2649 -2.7168 2.0632 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2163 -2.6493 0.7768 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3682 -4.6840 0.2107 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0762 -1.0662 -2.4039 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0877 -0.8098 -0.0535 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1351 0.9085 -2.3804 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6739 2.3736 -0.7712 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7169 1.0735 0.5963 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1904 0.8050 -2.9275 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6724 2.3232 -2.1566 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2676 1.8528 -4.0171 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7887 2.6926 -4.3262 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0122 4.2650 -3.9613 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7618 3.7466 -2.2733 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3133 4.9340 -3.5327 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2526 4.3034 -1.8768 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8230 6.1527 -1.1704 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8958 6.8386 -2.4257 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2202 6.4035 -2.8568 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4959 3.2955 1.5682 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2342 3.6420 3.3728 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3764 7.3077 1.3025 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0588 7.6748 0.8210 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7054 6.6920 -0.8973 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3676 8.3516 -0.8419 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2597 7.8604 -1.1803 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4632 6.6799 -2.4953 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1705 6.0511 -0.8324 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1948 8.8435 -2.5012 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2775 7.8444 -3.5674 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4533 7.6025 -3.5563 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0504 5.5192 -2.5244 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5132 4.7874 -1.7592 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6439 5.4956 -3.4319 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 1 0 7 8 2 0 8 9 1 0 9 10 1 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 2 3 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 2 0 23 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 2 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 32 34 1 0 34 35 1 0 35 36 1 0 35 37 1 0 37 38 1 0 38 39 1 0 39 40 2 0 40 41 1 0 41 42 1 0 41 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 20 48 1 0 48 49 1 0 49 50 1 0 50 51 2 0 50 52 1 0 50 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 56 58 1 0 56 59 1 0 38 31 1 0 1 60 1 0 1 61 1 0 1 62 1 0 2 63 1 0 2 64 1 0 3 65 1 0 3 66 1 0 4 67 1 0 4 68 1 0 5 69 1 0 5 70 1 0 6 71 1 0 6 72 1 0 7 73 1 0 8 74 1 0 9 75 1 0 9 76 1 0 10 77 1 0 10 78 1 0 11 79 1 0 11 80 1 0 12 81 1 0 12 82 1 0 13 83 1 0 13 84 1 0 14 85 1 0 14 86 1 0 15 87 1 0 15 88 1 0 16 89 1 0 16 90 1 0 17 91 1 0 18 92 1 0 20 93 1 6 21 94 1 0 21 95 1 0 25 96 1 0 25 97 1 0 26 98 1 0 26 99 1 0 27100 1 0 27101 1 0 28102 1 0 29103 1 0 30104 1 0 30105 1 0 31106 1 1 32107 1 1 33108 1 0 34109 1 0 34110 1 0 35111 1 0 36112 1 0 38113 1 6 39114 1 0 40115 1 0 41116 1 1 42117 1 0 43118 1 0 43119 1 0 44120 1 0 44121 1 0 45122 1 0 45123 1 0 46124 1 0 46125 1 0 47126 1 0 47127 1 0 47128 1 0 48129 1 0 48130 1 0 54131 1 0 54132 1 0 55133 1 0 55134 1 0 57135 1 0 57136 1 0 57137 1 0 58138 1 0 58139 1 0 58140 1 0 59141 1 0 59142 1 0 59143 1 0 M CHG 2 52 -1 56 1 M END