HMDB0289309 RDKit 3D PC(DiMe(9,3)/PGE1) 140141 0 0 0 0 0 0 0 0999 V2000 0.0913 -2.0524 6.3810 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5524 -1.9043 6.0094 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3311 -3.1443 6.3516 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7918 -3.0578 6.0025 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0170 -2.8347 4.5411 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4929 -2.7622 4.2305 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1231 -1.7370 4.8898 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6424 -2.6907 2.7344 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0217 -3.7229 2.0182 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1574 -3.6111 0.5199 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5195 -4.2374 0.2146 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0657 -3.7542 -0.9576 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2552 -5.7399 0.1743 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8106 -5.8900 0.4546 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2131 -6.7896 0.9582 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2027 -4.6051 -0.0537 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1311 -4.7238 -1.5191 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7317 -3.4738 -2.2821 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6628 -3.8582 -3.7285 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2814 -2.7784 -4.6888 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9639 -2.1894 -4.3340 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4530 -1.1716 -5.3320 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1860 -0.5559 -4.8707 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1012 -0.3309 -3.6416 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1122 -0.2176 -5.6719 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0090 0.3737 -5.0895 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.2585 -0.4815 -5.1073 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1084 -1.7091 -4.4588 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7921 -1.8242 -3.1217 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6513 -0.7499 -2.4896 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6237 -3.1713 -2.4878 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8826 -3.1608 -1.1945 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5360 -2.3495 -0.1542 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7431 -2.3496 1.1575 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6470 -1.8374 0.9474 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7455 -0.4502 0.4053 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1678 0.6343 1.2408 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8346 0.7522 2.5935 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2463 1.8687 3.3835 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5714 1.7981 4.3879 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8765 2.9994 4.8373 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7729 3.3382 5.9640 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0765 3.8374 5.3960 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0186 4.1925 6.5377 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2115 3.9386 4.0735 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2319 5.4104 4.1792 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4990 3.2229 3.1529 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3864 3.7453 2.0847 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3118 1.7586 -5.6712 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4606 2.1920 -4.9949 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9893 3.7037 -5.4634 P 0 0 0 0 0 5 0 0 0 0 0 0 -1.9030 4.5733 -6.0524 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1739 3.5176 -6.6540 O 0 0 0 0 0 1 0 0 0 0 0 0 -3.7228 4.4399 -4.1382 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2111 5.7012 -4.4253 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8525 6.3958 -3.2766 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9826 5.7536 -2.6924 N 0 0 0 0 0 4 0 0 0 0 0 0 -5.6218 4.4961 -2.0670 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4691 6.6118 -1.6068 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0406 5.4806 -3.6445 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5199 -1.3426 5.7531 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3054 -3.0710 6.2090 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1147 -1.7716 7.4394 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9761 -1.0384 6.5895 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6421 -1.7126 4.9333 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8236 -4.0360 5.9052 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2449 -3.2811 7.4702 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2417 -2.2640 6.6465 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2302 -4.0543 6.2683 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5142 -3.6367 3.9926 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5490 -1.8483 4.2559 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9286 -3.7327 4.5492 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5364 -0.9298 4.9425 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4315 -1.7574 2.2229 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2432 -4.6700 2.4945 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0507 -2.5913 0.1635 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1886 -4.0055 1.0621 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9577 -2.7871 -1.0611 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9189 -6.2798 0.8654 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5093 -6.1305 -0.8427 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1849 -4.4698 0.3859 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0936 -5.1248 -1.9406 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3870 -5.5312 -1.7640 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4905 -2.6978 -2.0630 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7269 -3.1915 -1.9132 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9735 -4.7302 -3.7953 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6778 -4.2387 -3.9950 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0895 -2.0141 -4.7826 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2024 -3.2744 -5.6990 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9540 -1.7481 -3.3187 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2160 -3.0298 -4.3417 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2363 -0.4315 -5.5388 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2987 -1.7168 -6.3002 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7948 0.5582 -4.0234 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6803 -0.5749 -6.1165 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0134 0.1093 -4.5052 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6593 -3.5701 -2.3513 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1411 -3.8711 -3.2367 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1630 -2.8357 -1.4300 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8035 -4.2341 -0.8751 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8318 -1.3525 -0.4089 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4927 -2.8906 0.1273 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2768 -1.6538 1.8324 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7967 -3.3494 1.5798 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1832 -1.8746 1.9345 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2289 -2.4933 0.2720 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3204 -0.4573 -0.6393 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8280 -0.1638 0.2155 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9228 0.4860 1.4483 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2879 1.5933 0.6984 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9351 0.8919 2.5002 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6813 -0.1662 3.1976 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9502 2.3856 6.5302 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3114 4.0498 6.6669 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8463 4.7456 4.7809 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4891 3.0915 4.7107 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6015 3.7921 7.4802 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0288 5.3069 6.6268 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9998 3.7598 6.2954 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6539 5.6549 5.2004 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7871 5.8491 4.1743 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9026 5.8938 3.4503 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9289 4.6513 2.4696 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8064 4.0873 1.1984 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1794 3.0094 1.8014 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5335 1.6518 -6.7434 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4557 2.4177 -5.4380 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3249 6.3146 -4.7227 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8558 5.7023 -5.3467 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1282 7.4590 -3.5291 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0793 6.4914 -2.4788 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9779 3.6365 -2.6948 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5387 4.3746 -1.9792 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1584 4.3692 -1.0885 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5025 6.3919 -1.3340 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8521 6.4397 -0.7001 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3062 7.6649 -1.9147 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9467 4.4362 -4.0182 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0937 6.2545 -4.4071 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0196 5.5062 -3.0755 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 6 8 1 0 8 9 2 0 9 10 1 0 10 11 1 0 11 12 1 0 11 13 1 0 13 14 1 0 14 15 2 0 14 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 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 41 45 2 0 45 46 1 0 45 47 1 0 47 48 1 0 26 49 1 0 49 50 1 0 50 51 1 0 51 52 2 0 51 53 1 0 51 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 57 58 1 0 57 59 1 0 57 60 1 0 16 10 1 0 47 39 2 0 1 61 1 0 1 62 1 0 1 63 1 0 2 64 1 0 2 65 1 0 3 66 1 0 3 67 1 0 4 68 1 0 4 69 1 0 5 70 1 0 5 71 1 0 6 72 1 1 7 73 1 0 8 74 1 0 9 75 1 0 10 76 1 6 11 77 1 1 12 78 1 0 13 79 1 0 13 80 1 0 16 81 1 1 17 82 1 0 17 83 1 0 18 84 1 0 18 85 1 0 19 86 1 0 19 87 1 0 20 88 1 0 20 89 1 0 21 90 1 0 21 91 1 0 22 92 1 0 22 93 1 0 26 94 1 1 27 95 1 0 27 96 1 0 31 97 1 0 31 98 1 0 32 99 1 0 32100 1 0 33101 1 0 33102 1 0 34103 1 0 34104 1 0 35105 1 0 35106 1 0 36107 1 0 36108 1 0 37109 1 0 37110 1 0 38111 1 0 38112 1 0 42113 1 0 42114 1 0 43115 1 0 43116 1 0 44117 1 0 44118 1 0 44119 1 0 46120 1 0 46121 1 0 46122 1 0 48123 1 0 48124 1 0 48125 1 0 49126 1 0 49127 1 0 55128 1 0 55129 1 0 56130 1 0 56131 1 0 58132 1 0 58133 1 0 58134 1 0 59135 1 0 59136 1 0 59137 1 0 60138 1 0 60139 1 0 60140 1 0 M CHG 2 53 -1 57 1 M END