HMDB0294590 RDKit 3D DG(PGE1/10:0/0:0) 99 99 0 0 0 0 0 0 0 0999 V2000 13.0191 -3.1645 -0.8153 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7447 -2.3530 -0.5836 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1421 -0.9090 -0.6510 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9598 0.0320 -0.4356 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3277 -0.1792 0.8991 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1876 0.7636 1.1195 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1167 0.5745 0.1002 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5599 -0.8227 0.1082 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9523 -1.2415 1.4080 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8061 -0.3919 1.8216 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2410 -0.5702 2.9561 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2637 0.6241 1.0598 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1855 1.4406 1.4253 C 0 0 1 0 0 0 0 0 0 0 0 0 4.6426 2.8809 1.4194 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0905 3.2703 0.1706 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1016 1.2667 0.3840 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9699 2.0670 0.6727 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8735 2.0343 -0.1732 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9092 1.2906 -1.1811 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3239 2.8640 0.1061 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3659 2.0811 0.8622 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7903 0.8820 0.0513 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3833 1.3033 -1.2444 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8031 0.1078 -2.0521 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8271 -0.6980 -1.3092 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0321 0.1767 -1.0198 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.5694 0.6415 -2.3264 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4967 1.7465 -2.7886 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2126 -0.5921 -2.9112 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6391 -1.4083 -1.7086 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.1266 -2.7074 -1.7559 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1841 -0.6619 -0.4893 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.2587 0.3160 -0.1209 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7284 0.4296 1.1339 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7706 1.3699 1.5254 C 0 0 1 0 0 0 0 0 0 0 0 0 -8.4863 2.6819 1.0425 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.1826 1.0296 1.2617 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7560 -0.1786 1.8891 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1490 -1.4747 1.5045 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2639 -1.7622 0.0175 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6216 -3.0945 -0.2886 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5078 -2.8610 -1.7633 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6980 -4.2217 -0.9217 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6703 -3.1157 0.0632 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0366 -2.6289 -1.3963 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3686 -2.6452 0.4102 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9407 -0.7029 0.0636 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5236 -0.6865 -1.6681 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3419 1.0618 -0.5702 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1938 -0.1531 -1.2294 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9861 -1.2545 0.9575 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0824 -0.1091 1.7379 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5235 1.8408 1.0341 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8062 0.6987 2.1650 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2896 1.3292 0.2189 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5212 0.7818 -0.9051 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7186 -0.8231 -0.6430 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3233 -1.5576 -0.1753 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7030 -1.3430 2.2255 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5230 -2.2644 1.2405 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7998 1.1755 2.4361 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8085 3.5748 1.7053 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4636 3.0581 2.1343 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2572 2.4618 -0.3769 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8041 0.1908 0.4262 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5164 1.4273 -0.6169 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6982 3.3050 -0.8385 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0451 3.7340 0.7413 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2272 2.7390 1.1158 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9006 1.6679 1.7975 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4820 0.2295 0.6443 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8626 0.2552 -0.0800 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2294 1.9869 -1.0259 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6616 1.9105 -1.8634 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9145 -0.5578 -2.2671 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2745 0.4216 -3.0146 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3815 -1.1409 -0.4172 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1497 -1.5058 -2.0377 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7970 0.9843 -0.3163 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0575 -0.3174 -3.5712 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4649 -1.0945 -3.5367 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7477 -1.4680 -1.7614 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8345 -3.3416 -1.9649 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9073 -1.2985 0.3509 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6798 0.9563 -0.8701 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2242 -0.2549 1.8401 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6729 1.4781 2.6586 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3273 3.0695 0.6946 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8544 1.9204 1.4030 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2578 0.8611 0.1343 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7601 -0.1358 3.0069 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8407 -0.2236 1.5557 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7962 -2.2820 1.9848 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1101 -1.5902 1.8257 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3326 -1.8503 -0.2888 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7764 -0.9950 -0.6030 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5160 -3.0670 -0.1249 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0687 -3.9012 0.3543 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7677 -3.3934 -1.3347 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 2 0 10 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 13 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 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 2 0 27 29 1 0 29 30 1 0 30 31 1 0 30 32 1 0 32 33 1 0 33 34 2 0 34 35 1 0 35 36 1 0 35 37 1 0 37 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 32 26 1 0 1 42 1 0 1 43 1 0 1 44 1 0 2 45 1 0 2 46 1 0 3 47 1 0 3 48 1 0 4 49 1 0 4 50 1 0 5 51 1 0 5 52 1 0 6 53 1 0 6 54 1 0 7 55 1 0 7 56 1 0 8 57 1 0 8 58 1 0 9 59 1 0 9 60 1 0 13 61 1 1 14 62 1 0 14 63 1 0 15 64 1 0 16 65 1 0 16 66 1 0 20 67 1 0 20 68 1 0 21 69 1 0 21 70 1 0 22 71 1 0 22 72 1 0 23 73 1 0 23 74 1 0 24 75 1 0 24 76 1 0 25 77 1 0 25 78 1 0 26 79 1 1 29 80 1 0 29 81 1 0 30 82 1 1 31 83 1 0 32 84 1 1 33 85 1 0 34 86 1 0 35 87 1 1 36 88 1 0 37 89 1 0 37 90 1 0 38 91 1 0 38 92 1 0 39 93 1 0 39 94 1 0 40 95 1 0 40 96 1 0 41 97 1 0 41 98 1 0 41 99 1 0 M END