HMDB0263151 RDKit 3D PA(PGE1/14:1(9Z)) 114114 0 0 0 0 0 0 0 0999 V2000 15.5293 -1.3585 -0.7398 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4189 -0.3756 0.4071 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8931 -0.2781 0.7520 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7257 0.6642 1.8824 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4620 1.0087 2.4482 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2649 0.6568 2.1620 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8014 -0.2432 1.1237 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8484 0.4749 0.1501 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6694 0.9906 0.8888 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8384 -0.0167 1.6087 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6398 0.6587 2.2725 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7667 1.3256 1.2199 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2477 0.3258 0.2402 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4177 0.8881 -0.8458 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9143 1.7844 -1.5848 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1322 0.4743 -1.0870 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3603 0.9936 -2.1370 C 0 0 2 0 0 0 0 0 0 0 0 0 1.2013 1.7742 -1.7024 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2287 1.2046 -0.9662 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7447 0.2824 -1.2025 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8194 -0.1857 -2.3675 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6973 -0.1865 -0.1741 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5291 -1.3491 -0.5541 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4090 -1.2721 -1.7156 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4651 -0.2816 -1.8833 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5730 -0.1578 -0.9229 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1614 0.3116 0.4167 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3391 0.3974 1.3868 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.7722 0.9136 2.6855 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9991 0.2970 3.4241 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2935 2.2599 2.9154 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6665 2.2116 2.2333 C 0 0 1 0 0 0 0 0 0 0 0 0 -8.1147 3.4649 1.8912 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.3941 1.3421 0.9938 C 0 0 2 0 0 0 0 0 0 0 0 0 -8.6352 0.7166 0.5074 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8958 -0.5617 0.3823 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2117 -1.1110 -0.1299 C 0 0 1 0 0 0 0 0 0 0 0 0 -9.8978 -2.2611 -0.8481 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.0480 -1.4310 1.0667 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3811 -2.0066 0.7670 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.3064 -1.1879 -0.0531 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.6422 0.1322 0.5854 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.5988 0.9366 -0.2979 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2240 -0.0797 -3.1571 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7599 -1.2895 -2.7161 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6390 -2.4420 -3.9255 P 0 0 0 0 0 5 0 0 0 0 0 0 0.7572 -1.8838 -5.0242 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9435 -3.8769 -3.3641 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1565 -2.7630 -4.6225 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5572 -1.3315 -1.1682 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7661 -1.0889 -1.4908 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2929 -2.3855 -0.3772 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7265 0.6266 0.0884 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9711 -0.7777 1.2853 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4436 0.0823 -0.1835 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6110 -1.3183 1.0376 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3369 1.6275 1.6363 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4170 0.2315 2.7131 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5324 1.7532 3.3372 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4363 1.0955 2.8024 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0879 -0.9842 1.6459 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5382 -0.8083 0.5758 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5523 -0.2695 -0.6117 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3987 1.2676 -0.4066 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9431 1.7890 1.6417 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0518 1.5701 0.1321 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5653 -0.8967 1.0122 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4404 -0.3986 2.4848 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0313 1.4312 2.9442 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0360 -0.0823 2.7956 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8644 1.6871 1.8033 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2227 2.2290 0.7814 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6498 -0.4609 0.7554 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0841 -0.2364 -0.2652 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1073 1.7348 -2.6557 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7768 2.3550 -2.6043 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6300 2.6355 -1.0631 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0800 -0.5130 0.7192 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2725 0.6823 0.2210 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9711 -1.8508 0.3358 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7376 -2.1621 -0.8559 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9232 -2.3153 -1.7786 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7998 -1.2847 -2.6734 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0616 0.7584 -2.0993 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9645 -0.5167 -2.8954 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3705 0.5629 -1.3036 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1685 -1.1268 -0.8693 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7969 1.3891 0.3591 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3788 -0.2202 0.9460 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6688 -0.6360 1.6427 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4179 2.4913 4.0045 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6797 3.0813 2.4825 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3213 1.6378 2.9046 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4119 3.4357 0.9327 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9821 2.0568 0.2339 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4462 1.4266 0.2145 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1411 -1.2872 0.6528 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6323 -0.3218 -0.7687 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1896 -2.1623 -1.7872 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1113 -0.5469 1.7515 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4776 -2.2094 1.6475 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3205 -3.0576 0.3644 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8939 -2.1509 1.7692 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2821 -1.7586 -0.0898 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0147 -1.0964 -1.1128 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2218 -0.0482 1.5258 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7828 0.7391 0.8790 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.5546 1.9826 0.0531 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.6324 0.5425 -0.1911 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2156 0.8714 -1.3329 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6139 0.3193 -4.0007 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2479 -0.2723 -3.5953 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1229 -4.0215 -2.3900 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6222 -3.3865 -3.9825 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 2 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 2 0 14 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 1 0 28 29 1 0 29 30 2 0 29 31 1 0 31 32 1 0 32 33 1 0 32 34 1 0 34 35 1 0 35 36 2 0 36 37 1 0 37 38 1 0 37 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 17 44 1 0 44 45 1 0 45 46 1 0 46 47 2 0 46 48 1 0 46 49 1 0 34 28 1 0 1 50 1 0 1 51 1 0 1 52 1 0 2 53 1 0 2 54 1 0 3 55 1 0 3 56 1 0 4 57 1 0 4 58 1 0 5 59 1 0 6 60 1 0 7 61 1 0 7 62 1 0 8 63 1 0 8 64 1 0 9 65 1 0 9 66 1 0 10 67 1 0 10 68 1 0 11 69 1 0 11 70 1 0 12 71 1 0 12 72 1 0 13 73 1 0 13 74 1 0 17 75 1 6 18 76 1 0 18 77 1 0 22 78 1 0 22 79 1 0 23 80 1 0 23 81 1 0 24 82 1 0 24 83 1 0 25 84 1 0 25 85 1 0 26 86 1 0 26 87 1 0 27 88 1 0 27 89 1 0 28 90 1 1 31 91 1 0 31 92 1 0 32 93 1 1 33 94 1 0 34 95 1 6 35 96 1 0 36 97 1 0 37 98 1 6 38 99 1 0 39100 1 0 39101 1 0 40102 1 0 40103 1 0 41104 1 0 41105 1 0 42106 1 0 42107 1 0 43108 1 0 43109 1 0 43110 1 0 44111 1 0 44112 1 0 48113 1 0 49114 1 0 M END