HMDB0288114 RDKit 3D PC(TXB2/22:3(10Z,13Z,16Z)) 155155 0 0 0 0 0 0 0 0999 V2000 -3.4792 -5.4105 6.0746 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3275 -6.8949 5.9662 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3845 -7.3056 4.8571 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0347 -6.7034 5.1547 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0264 -7.0875 4.0981 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4496 -6.6110 2.7075 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6027 -7.0500 1.7559 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3181 -6.2674 0.9831 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1745 -4.7939 0.9486 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4299 -4.1073 1.3108 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5616 -3.2908 2.3042 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4645 -2.9161 3.2434 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2056 -1.4665 3.1303 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0672 -0.8782 2.8204 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1825 -1.5971 2.5349 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7026 -1.3652 1.1080 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0237 -2.1121 1.0244 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5689 -2.0843 -0.4054 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8784 -2.7710 -0.4576 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0369 -2.2055 0.2549 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6124 -0.9282 -0.2097 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8360 0.3039 -0.1564 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4675 0.8112 1.2001 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0456 0.3424 2.2069 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5262 1.7769 1.3848 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1105 2.3976 2.5464 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.0760 3.9056 2.3689 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1896 4.2861 1.3411 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2968 4.0290 0.0031 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3286 3.3906 -0.4045 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2888 4.4368 -1.0282 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2138 3.3571 -1.1431 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7765 2.0080 -1.4718 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4809 2.0158 -2.7524 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2284 1.2647 -3.8132 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1491 0.2851 -3.8205 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1231 0.5451 -4.9475 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7423 0.4574 -6.2838 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.0555 -0.0525 -6.1880 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7777 1.6695 -7.1327 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2886 2.6820 -6.7457 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0381 3.8799 -7.3747 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3124 2.8981 -5.3931 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6001 1.8043 -4.6045 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0847 1.6140 -4.4505 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6734 1.5587 -3.2735 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1212 1.3752 -3.0304 C 0 0 1 0 0 0 0 0 0 0 0 0 4.6386 0.6411 -4.0986 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7619 2.7484 -3.1033 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2315 2.7563 -2.8754 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6316 2.2293 -1.5241 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0974 2.2270 -1.2613 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7731 3.5551 -1.3061 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7393 1.9212 3.0507 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5323 2.6780 4.2195 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1216 2.3115 5.0103 P 0 0 0 0 0 5 0 0 0 0 0 0 -1.0709 0.8190 5.3077 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1290 3.1522 6.4965 O 0 0 0 0 0 1 0 0 0 0 0 0 0.1990 2.8267 4.1344 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4650 4.1420 4.4920 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6675 4.6715 3.7660 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4762 4.6369 2.3374 N 0 0 0 0 0 4 0 0 0 0 0 0 0.2746 5.3616 1.9523 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4286 3.2627 1.9073 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5941 5.2766 1.6468 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2803 -4.9551 5.0918 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7775 -4.9415 6.8050 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5451 -5.1594 6.3292 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2922 -7.3972 5.7708 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9664 -7.2503 6.9706 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8234 -6.9064 3.9061 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2839 -8.3898 4.7750 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7177 -7.1305 6.1323 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0707 -5.5961 5.2005 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1189 -8.2014 4.0637 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9710 -6.6759 4.3591 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6181 -5.5377 2.7681 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4179 -7.1471 2.5044 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7511 -8.1564 1.7449 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0617 -6.7049 0.3282 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9886 -4.5747 -0.1701 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2787 -4.4364 1.4354 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3221 -4.3071 0.6799 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5297 -2.8192 2.5091 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9222 -3.1174 4.2841 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5634 -3.4984 3.1441 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0547 -0.7795 3.3268 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0288 0.2448 2.7728 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0037 -2.6895 2.5998 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9740 -1.2939 3.2777 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8104 -0.2786 0.9706 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9896 -1.8252 0.4059 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9157 -3.1529 1.3402 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7541 -1.6018 1.6539 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8622 -2.7624 -1.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5562 -1.1024 -0.8507 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7513 -3.8293 -0.0537 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1679 -2.9468 -1.5555 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8765 -2.9586 0.2595 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7323 -2.0673 1.3498 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9058 -1.0644 -1.3175 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6454 -0.7685 0.2610 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0602 0.4384 -0.9082 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6036 1.1371 -0.4873 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7983 2.0872 3.3578 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6895 4.3449 3.3233 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1068 4.2431 2.2273 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7834 4.5067 -1.9954 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7743 5.3650 -0.7900 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5772 3.6876 -1.9926 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5727 3.3745 -0.2554 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0902 1.1869 -1.2768 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6043 1.8503 -0.6903 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3092 2.7235 -2.8465 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8902 1.4467 -4.6704 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5136 -0.7612 -4.0267 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5452 0.3223 -2.9059 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6400 -0.2890 -4.8228 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1914 -0.3456 -6.8567 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0582 -1.0421 -6.1484 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7989 2.1468 -7.1471 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5776 1.3887 -8.1898 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2638 2.3491 -7.1602 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9993 4.0515 -7.2172 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2528 2.1153 -3.5666 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6708 1.5242 -5.3417 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9937 1.6603 -2.4023 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3513 0.9049 -2.0765 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7446 -0.3049 -3.8933 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2566 3.4061 -2.3577 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5388 3.2031 -4.1059 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6022 3.8013 -2.9612 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7409 2.1973 -3.7026 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0919 2.7145 -0.7072 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3052 1.1518 -1.4989 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2320 1.8361 -0.2142 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6516 1.4966 -1.9130 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8017 3.4731 -1.7568 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9797 3.9618 -0.2730 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1816 4.3346 -1.8087 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9447 2.0289 2.3252 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8055 0.8777 3.3900 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6822 4.2046 5.5921 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4425 4.7724 4.3194 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9760 5.6712 4.1312 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5175 3.9771 4.0001 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3281 5.6158 0.8781 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1673 6.3128 2.5033 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6001 4.7251 2.1035 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4177 2.8567 1.8306 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9392 3.1308 0.9314 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9936 2.6516 2.6453 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4883 6.3769 1.7753 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5617 4.8981 1.9982 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4638 5.0898 0.5630 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 2 0 11 12 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 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 1 0 23 24 2 0 23 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 1 0 38 39 1 0 38 40 1 0 40 41 1 0 41 42 1 0 41 43 1 0 43 44 1 0 44 45 1 0 45 46 2 0 46 47 1 0 47 48 1 0 47 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 26 54 1 0 54 55 1 0 55 56 1 0 56 57 2 0 56 58 1 0 56 59 1 0 59 60 1 0 60 61 1 0 61 62 1 0 62 63 1 0 62 64 1 0 62 65 1 0 44 37 1 0 1 66 1 0 1 67 1 0 1 68 1 0 2 69 1 0 2 70 1 0 3 71 1 0 3 72 1 0 4 73 1 0 4 74 1 0 5 75 1 0 5 76 1 0 6 77 1 0 6 78 1 0 7 79 1 0 8 80 1 0 9 81 1 0 9 82 1 0 10 83 1 0 11 84 1 0 12 85 1 0 12 86 1 0 13 87 1 0 14 88 1 0 15 89 1 0 15 90 1 0 16 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 22103 1 0 22104 1 0 26105 1 1 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 6 38119 1 6 39120 1 0 40121 1 0 40122 1 0 41123 1 0 42124 1 0 44125 1 1 45126 1 0 46127 1 0 47128 1 1 48129 1 0 49130 1 0 49131 1 0 50132 1 0 50133 1 0 51134 1 0 51135 1 0 52136 1 0 52137 1 0 53138 1 0 53139 1 0 53140 1 0 54141 1 0 54142 1 0 60143 1 0 60144 1 0 61145 1 0 61146 1 0 63147 1 0 63148 1 0 63149 1 0 64150 1 0 64151 1 0 64152 1 0 65153 1 0 65154 1 0 65155 1 0 M CHG 2 58 -1 62 1 M END