HMDB0299405 RDKit 3D DG(6 keto-PGF1alpha/i-17:0/0:0) 121121 0 0 0 0 0 0 0 0999 V2000 13.7596 -2.9914 -0.2817 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7249 -2.1079 0.4495 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5631 -0.6526 0.0926 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1599 -0.2373 0.4557 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9093 1.2211 0.1339 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4953 1.6261 0.5032 C 0 0 2 0 0 0 0 0 0 0 0 0 11.3375 1.4133 1.8705 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4672 0.9226 -0.2620 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7897 -0.1225 0.2116 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7561 -0.8054 -0.5969 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0085 -2.2976 -0.5588 C 0 0 2 0 0 0 0 0 0 0 0 0 9.8910 -2.7020 -1.5568 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6240 -2.9324 -0.7523 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6390 -1.7690 -0.7371 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5172 -1.2792 -2.0153 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3913 -0.7506 0.0871 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7818 0.6050 0.0068 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4228 0.5434 0.7141 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5331 0.1988 -0.0118 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3029 0.8806 2.1097 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0589 1.3110 2.7557 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4230 2.5918 2.3939 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8489 2.7585 1.0446 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6921 1.8304 0.8721 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7318 0.6419 0.5811 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3907 2.3618 1.0613 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7449 1.5638 0.9121 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9091 1.0125 -0.4752 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.9407 2.1959 -1.4163 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0730 1.8298 -2.7498 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0732 0.2323 -0.5446 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0958 -1.0760 -0.9744 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9415 -1.5264 -1.3107 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2873 -1.9398 -1.0662 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5251 -1.1394 -0.7767 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7894 -0.0140 -1.7059 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0600 0.7090 -1.2739 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2811 -0.1146 -1.2873 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5558 0.6305 -0.8246 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8200 1.7766 -1.7207 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9632 2.6485 -1.4107 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3503 2.1845 -1.3809 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8019 1.1828 -0.3840 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.3152 0.9682 -0.6067 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.9020 -0.0119 0.3525 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.2871 -1.3704 0.2576 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.9260 -2.3416 1.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.3978 -2.5076 1.0343 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.6353 -1.9585 2.6765 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7284 -2.9445 0.0788 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1007 -4.0436 -0.1469 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7414 -2.7340 -1.3723 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7400 -2.4824 0.2894 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4810 -2.1815 1.5463 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7122 -0.4987 -0.9967 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2702 -0.0591 0.6997 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0306 -0.3744 1.5364 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3970 -0.8423 -0.0524 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6456 1.8161 0.6890 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0278 1.4116 -0.9529 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3694 2.7400 0.3710 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1466 1.6682 2.3778 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1987 1.2261 -1.2798 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0117 -0.4699 1.2131 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6923 -0.4252 -1.6263 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3571 -2.5665 0.4426 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4910 -3.3850 -1.1359 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3731 -3.5845 0.1103 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5814 -3.5329 -1.6612 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6775 -2.0640 -0.2706 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8622 -1.9238 -2.6547 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5646 -1.0970 1.1243 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6313 0.9272 -1.0277 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3350 1.3867 0.5271 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7675 -0.0051 2.7035 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0952 1.6882 2.3931 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2783 1.3269 3.8840 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2322 0.5173 2.6238 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5853 2.7474 3.1742 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1477 3.4574 2.6065 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5824 2.5602 0.2561 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4206 3.8045 0.9080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7543 0.7175 1.6427 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6274 2.2370 1.0825 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0749 0.3731 -0.8137 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0470 2.7043 -1.3172 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6941 2.9534 -1.1074 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5180 0.9306 -2.7895 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3473 -2.4949 -2.0208 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2664 -2.7512 -0.2773 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4181 -0.6979 0.2547 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4302 -1.8006 -0.7444 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8664 -0.3338 -2.7742 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9933 0.7540 -1.6494 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1571 1.6332 -1.9164 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8641 1.0296 -0.2208 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2338 -1.0562 -0.7437 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5439 -0.4042 -2.3504 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3319 -0.1786 -0.9727 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5010 0.8713 0.2343 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8931 1.4238 -2.8115 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8779 2.4227 -1.7597 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9431 3.5403 -2.1397 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7834 3.2088 -0.4203 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0190 3.0971 -1.2646 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5991 1.8088 -2.4367 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2990 0.2208 -0.3725 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6683 1.6111 0.6489 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4433 0.5707 -1.6395 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8263 1.9336 -0.5680 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.0020 -0.0289 0.1630 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8025 0.3884 1.3950 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2139 -1.2890 0.5580 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4267 -1.8195 -0.7397 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4471 -3.3507 1.0861 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.9808 -1.8863 1.7466 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.6781 -3.5569 1.2429 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.7066 -2.2757 -0.0059 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1463 -2.7147 3.3291 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5303 -2.1046 2.8554 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9583 -0.9423 2.9227 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 1 0 14 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 2 0 24 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 28 31 1 0 31 32 1 0 32 33 2 0 32 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 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 47 49 1 0 16 10 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 5 60 1 0 6 61 1 1 7 62 1 0 8 63 1 0 9 64 1 0 10 65 1 6 11 66 1 1 12 67 1 0 13 68 1 0 13 69 1 0 14 70 1 1 15 71 1 0 16 72 1 1 17 73 1 0 17 74 1 0 20 75 1 0 20 76 1 0 21 77 1 0 21 78 1 0 22 79 1 0 22 80 1 0 23 81 1 0 23 82 1 0 27 83 1 0 27 84 1 0 28 85 1 6 29 86 1 0 29 87 1 0 30 88 1 0 34 89 1 0 34 90 1 0 35 91 1 0 35 92 1 0 36 93 1 0 36 94 1 0 37 95 1 0 37 96 1 0 38 97 1 0 38 98 1 0 39 99 1 0 39100 1 0 40101 1 0 40102 1 0 41103 1 0 41104 1 0 42105 1 0 42106 1 0 43107 1 0 43108 1 0 44109 1 0 44110 1 0 45111 1 0 45112 1 0 46113 1 0 46114 1 0 47115 1 0 48116 1 0 48117 1 0 48118 1 0 49119 1 0 49120 1 0 49121 1 0 M END