HMDB0295893 RDKit 3D DG(18:0/0:0/TXB2) 124124 0 0 0 0 0 0 0 0999 V2000 15.7404 -1.5266 1.5549 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4818 -1.9738 0.8677 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3205 -1.1770 1.4225 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4922 0.2643 1.2053 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7184 0.7932 -0.1205 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8474 0.7355 -1.2461 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3853 -0.4153 -2.0012 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5258 -1.4737 -1.4376 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2316 -0.8083 -0.9265 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3388 -1.8353 -0.3500 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0972 -1.4046 0.3042 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0669 -0.6273 -0.4364 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4392 0.7561 -0.8234 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3748 1.5082 -1.5486 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2001 1.9489 -0.8383 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3147 1.0023 -0.1373 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1379 1.8926 0.3758 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1467 1.0895 1.1108 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3036 -0.1543 1.2038 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0589 1.6599 1.6995 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0454 1.0689 2.4167 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7700 0.0519 1.6410 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.7542 -0.3930 2.5580 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4888 0.6952 0.4756 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2226 1.8301 0.8658 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9507 2.5421 -0.0490 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9451 2.1175 -1.2482 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7061 3.7360 0.2859 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1779 3.6027 0.3689 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6064 2.6128 1.4583 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0626 2.5489 1.5622 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7969 1.4854 1.4239 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2606 0.1492 1.1360 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8707 -0.3543 -0.1736 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.4501 0.5955 -1.2650 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.0513 0.7192 -1.1385 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.8459 0.1569 -2.6286 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0906 -1.3308 -2.6416 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9909 -1.8076 -3.9490 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.1540 -1.9351 -1.8070 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.5851 -1.7886 -0.4637 C 0 0 2 0 0 0 0 0 0 0 0 0 -8.8343 -2.6348 -0.3470 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7441 -2.3652 0.5781 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9635 -3.1636 0.7183 C 0 0 1 0 0 0 0 0 0 0 0 0 -11.1598 -3.4888 2.0528 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.2231 -2.3906 0.2717 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3710 -1.1493 1.0904 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.5544 -0.3301 0.8397 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.7407 0.2003 -0.5248 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.0037 -0.7962 -1.5935 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6260 -2.0614 1.0956 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9456 -0.4540 1.4137 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6540 -1.7825 2.6403 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3343 -3.0724 0.9871 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6064 -1.7704 -0.2175 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4311 -1.3793 2.5747 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3367 -1.5802 1.2264 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3134 0.6296 1.9443 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5847 0.7712 1.7022 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9847 1.9470 0.0151 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7797 0.4456 -0.4943 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8764 1.3516 -0.9355 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2224 1.5214 -2.0491 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2682 -0.9184 -2.5674 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7999 -0.0321 -2.9337 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1305 -2.0696 -2.3485 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9292 -2.2234 -0.7950 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7555 -0.4817 -1.9134 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4055 0.0238 -0.2750 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9491 -2.4130 0.4186 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0967 -2.6448 -1.1298 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5893 -2.3118 0.8042 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3739 -0.7837 1.2232 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9646 -1.1829 -1.4692 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0732 -0.7378 0.0294 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6210 1.3335 0.1883 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4167 0.8852 -1.2965 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0565 0.8885 -2.4567 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8700 2.4042 -2.0750 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5526 2.5976 -1.5412 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5596 2.7711 -0.0993 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7476 0.6340 0.8530 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9544 0.1843 -0.7330 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6102 2.6041 1.0764 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7088 2.3865 -0.4992 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3758 0.5550 3.3480 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6807 1.8742 2.7215 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1708 -0.7863 1.3051 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3306 -0.7549 3.3795 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0999 -0.0948 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6778 1.0102 -0.2547 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4829 4.5627 -0.4464 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3064 4.1314 1.2720 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6763 4.5748 0.6304 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5824 3.3326 -0.6165 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2526 3.1182 2.4122 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0540 1.6887 1.4127 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5759 3.5344 1.7857 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8948 1.6107 1.5335 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1748 0.1054 1.1174 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5541 -0.5788 1.9575 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9981 -0.2205 -0.1088 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9271 1.5689 -1.0262 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5691 -0.0564 -1.5183 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7027 0.7408 -3.0354 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9368 0.3200 -3.2846 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1442 -1.5486 -2.3218 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8773 -1.7931 -4.3734 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7882 -2.2263 0.1592 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0345 -3.4766 -0.9986 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6187 -1.5228 1.2870 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8814 -4.1100 0.1451 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7840 -2.8011 2.6608 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0770 -2.0876 -0.7853 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0557 -3.0921 0.3316 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4633 -0.4620 0.9123 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2353 -1.3830 2.2036 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5037 0.5368 1.6024 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.4715 -0.9453 1.1356 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8419 0.8420 -0.8366 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.5626 0.9786 -0.5002 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.8925 -0.3841 -2.2103 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2123 -0.9041 -2.3370 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.3049 -1.7755 -1.2052 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 1 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 1 0 18 19 2 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 22 24 1 0 24 25 1 0 25 26 1 0 26 27 2 0 26 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 2 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 35 37 1 0 37 38 1 0 38 39 1 0 38 40 1 0 40 41 1 0 41 42 1 0 42 43 2 0 43 44 1 0 44 45 1 0 44 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 41 34 1 0 1 51 1 0 1 52 1 0 1 53 1 0 2 54 1 0 2 55 1 0 3 56 1 0 3 57 1 0 4 58 1 0 4 59 1 0 5 60 1 0 5 61 1 0 6 62 1 0 6 63 1 0 7 64 1 0 7 65 1 0 8 66 1 0 8 67 1 0 9 68 1 0 9 69 1 0 10 70 1 0 10 71 1 0 11 72 1 0 11 73 1 0 12 74 1 0 12 75 1 0 13 76 1 0 13 77 1 0 14 78 1 0 14 79 1 0 15 80 1 0 15 81 1 0 16 82 1 0 16 83 1 0 17 84 1 0 17 85 1 0 21 86 1 0 21 87 1 0 22 88 1 6 23 89 1 0 24 90 1 0 24 91 1 0 28 92 1 0 28 93 1 0 29 94 1 0 29 95 1 0 30 96 1 0 30 97 1 0 31 98 1 0 32 99 1 0 33100 1 0 33101 1 0 34102 1 1 35103 1 1 36104 1 0 37105 1 0 37106 1 0 38107 1 0 39108 1 0 41109 1 1 42110 1 0 43111 1 0 44112 1 6 45113 1 0 46114 1 0 46115 1 0 47116 1 0 47117 1 0 48118 1 0 48119 1 0 49120 1 0 49121 1 0 50122 1 0 50123 1 0 50124 1 0 M END