HMDB0261862 RDKit 3D PE(20:0/5-iso PGF2VI) 136136 0 0 0 0 0 0 0 0999 V2000 15.7806 -3.3753 -0.6962 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9092 -1.9483 -0.2544 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7880 -1.5785 0.6995 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4552 -1.7530 0.0121 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2950 -1.4068 0.8988 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3253 0.0113 1.3724 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1829 0.4057 2.2608 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8894 0.2263 1.5109 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7009 0.6341 2.3781 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7771 2.0546 2.7921 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8357 3.1059 1.7719 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7442 3.3960 0.8505 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2539 2.3111 -0.0249 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1900 2.8706 -1.0228 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7440 1.7064 -1.8452 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7624 2.0424 -2.9062 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4786 2.6401 -2.4966 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5962 1.8492 -1.6019 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1809 0.5232 -2.1596 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2268 -0.1121 -1.1678 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9563 -1.3309 -1.2960 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6593 0.5886 -0.1638 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2483 0.1602 0.8102 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4924 -0.3232 0.0754 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.8377 0.7488 -0.9095 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9402 0.4503 -1.6894 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3291 1.6349 -2.7916 P 0 0 0 0 0 5 0 0 0 0 0 0 -2.1702 2.5524 -3.0881 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5511 2.5945 -2.0903 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9955 0.9965 -4.2277 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3771 1.6810 -5.2923 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9085 1.1839 -6.6070 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6670 -0.2264 -6.7916 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4604 -0.6349 1.0082 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0002 -1.8279 1.3673 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5673 -2.8553 0.7840 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0717 -1.9706 2.4097 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3797 -3.3868 2.5794 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5403 -3.9640 2.3665 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7133 -3.2128 1.9093 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8685 -3.2781 2.8754 C 0 0 2 0 0 0 0 0 0 0 0 0 -8.3270 -4.7138 3.1114 C 0 0 1 0 0 0 0 0 0 0 0 0 -9.3417 -4.6079 4.0864 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.0094 -5.0672 1.8322 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7186 -3.7942 1.4390 C 0 0 1 0 0 0 0 0 0 0 0 0 -11.0872 -3.8577 1.5416 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.1373 -2.6916 2.3278 C 0 0 2 0 0 0 0 0 0 0 0 0 -8.9989 -1.4831 1.5252 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5924 -0.3135 1.8510 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4522 0.9202 1.0320 C 0 0 2 0 0 0 0 0 0 0 0 0 -9.3516 2.0699 1.8164 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.6112 1.0170 0.0682 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9347 1.0726 0.8058 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0941 1.1795 -0.1631 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9852 2.4248 -1.0201 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9836 3.6275 -0.1177 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1628 -3.4395 -1.6298 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3375 -3.9745 0.1172 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7979 -3.8071 -0.8815 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8689 -1.2861 -1.1445 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8829 -1.7655 0.2436 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8227 -2.1711 1.6249 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9122 -0.5024 0.9710 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4052 -1.1709 -0.9389 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3521 -2.8198 -0.2940 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2777 -2.1284 1.7588 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3677 -1.6154 0.2916 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2943 0.6700 0.4674 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2890 0.2557 1.8738 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3466 1.4330 2.5870 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1309 -0.2941 3.1416 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8668 0.8629 0.6084 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7291 -0.8127 1.2065 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7835 0.3489 1.9045 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7824 0.0310 3.3439 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8254 2.2463 3.3979 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5726 2.2166 3.5800 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0371 4.0853 2.3447 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7998 3.0366 1.1568 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8640 3.7823 1.4804 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9848 4.3356 0.2403 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6142 1.5877 0.5689 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9576 1.7498 -0.6082 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6826 3.6329 -1.6281 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4286 3.3279 -0.3845 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6437 1.1982 -2.2470 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2572 0.9240 -1.1927 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5871 1.1531 -3.5851 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3045 2.7567 -3.6061 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6006 3.6973 -2.1028 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8734 2.8230 -3.4413 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1066 1.6122 -0.6196 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6792 2.3930 -1.2951 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5254 0.6762 -3.0671 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9840 -0.1963 -2.3142 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1611 -0.7392 1.3530 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5048 0.9578 1.5276 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1535 -1.2701 -0.4387 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9768 0.9148 -1.5934 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9803 1.6961 -0.3631 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6428 3.4585 -2.5775 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2840 1.4604 -5.2073 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5563 2.7710 -5.2125 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3738 1.7350 -7.4239 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0033 1.3630 -6.6624 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9088 -0.7818 -5.9535 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2000 -0.5708 -7.6299 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8979 -1.2882 2.2392 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6004 -1.6177 3.3840 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5373 -4.0240 2.9268 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5873 -5.0556 2.5503 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5229 -2.1897 1.5513 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0787 -3.7568 0.9826 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5946 -2.7809 3.8151 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5365 -5.3848 3.4347 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6574 -5.4797 4.4100 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7384 -5.9022 1.9437 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2799 -5.3806 1.0393 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4748 -3.5923 0.3656 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4048 -4.7005 1.1402 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8441 -2.5929 3.1780 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4043 -1.4881 0.6195 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1878 -0.3557 2.7740 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5354 0.7806 0.3952 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8952 2.7729 1.3431 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6247 0.1882 -0.6444 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5311 1.9703 -0.4985 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9775 1.9443 1.4861 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1276 0.1706 1.4220 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0235 1.3104 0.4453 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2284 0.2689 -0.7650 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9233 2.4508 -1.6394 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1323 2.4189 -1.7042 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6222 3.4718 0.7804 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3665 4.4864 -0.7360 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9690 3.8465 0.2681 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 1 0 19 20 1 0 20 21 2 0 20 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 2 0 27 29 1 0 27 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 24 34 1 0 34 35 1 0 35 36 2 0 35 37 1 0 37 38 1 0 38 39 2 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 42 44 1 0 44 45 1 0 45 46 1 0 45 47 1 0 47 48 1 0 48 49 2 0 49 50 1 0 50 51 1 0 50 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 47 41 1 0 1 57 1 0 1 58 1 0 1 59 1 0 2 60 1 0 2 61 1 0 3 62 1 0 3 63 1 0 4 64 1 0 4 65 1 0 5 66 1 0 5 67 1 0 6 68 1 0 6 69 1 0 7 70 1 0 7 71 1 0 8 72 1 0 8 73 1 0 9 74 1 0 9 75 1 0 10 76 1 0 10 77 1 0 11 78 1 0 11 79 1 0 12 80 1 0 12 81 1 0 13 82 1 0 13 83 1 0 14 84 1 0 14 85 1 0 15 86 1 0 15 87 1 0 16 88 1 0 16 89 1 0 17 90 1 0 17 91 1 0 18 92 1 0 18 93 1 0 19 94 1 0 19 95 1 0 23 96 1 0 23 97 1 0 24 98 1 6 25 99 1 0 25100 1 0 29101 1 0 31102 1 0 31103 1 0 32104 1 0 32105 1 0 33106 1 0 33107 1 0 37108 1 0 37109 1 0 38110 1 0 39111 1 0 40112 1 0 40113 1 0 41114 1 1 42115 1 1 43116 1 0 44117 1 0 44118 1 0 45119 1 6 46120 1 0 47121 1 1 48122 1 0 49123 1 0 50124 1 6 51125 1 0 52126 1 0 52127 1 0 53128 1 0 53129 1 0 54130 1 0 54131 1 0 55132 1 0 55133 1 0 56134 1 0 56135 1 0 56136 1 0 M END