HMDB0296418 RDKit 3D DG(PGE1/0:0/20:0) 129129 0 0 0 0 0 0 0 0999 V2000 18.0010 -1.5389 -2.1641 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1879 -1.8286 -0.7096 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8768 -1.6559 0.0488 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3549 -0.2573 -0.0666 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0742 -0.1172 0.7019 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0243 -1.0149 0.1542 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7167 -0.9249 0.9013 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1327 0.4358 0.8989 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8201 0.9919 -0.4410 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8481 0.2135 -1.2635 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5212 0.0241 -0.6091 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8638 1.3558 -0.2830 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5407 1.1625 0.3833 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5151 0.4044 -0.4622 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2270 1.2132 -1.6559 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3458 0.7673 -2.7279 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9549 0.4308 -2.4466 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6126 -0.7382 -1.6076 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0673 -0.8356 -1.5527 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6294 0.4555 -0.8793 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1845 1.3854 -1.5580 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7381 0.5572 0.4578 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4032 1.5692 1.3012 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0510 1.8182 1.5366 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7134 0.7172 2.0556 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8105 2.4282 0.4116 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0386 2.9537 0.9076 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1017 2.2625 1.3981 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0830 1.0252 1.4251 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3076 2.9673 1.9160 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4021 1.9878 2.2434 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8808 1.2646 1.0394 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9853 0.2452 1.3212 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1591 0.8800 1.9408 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3139 0.0189 2.2418 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0476 -0.5586 1.1085 C 0 0 1 0 0 0 0 0 0 0 0 0 -9.3205 -1.4335 0.2262 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0104 -1.3171 -0.9363 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.9859 -2.6420 1.0888 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2429 -2.7719 1.9471 C 0 0 1 0 0 0 0 0 0 0 0 0 -9.8508 -2.9344 3.2632 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.0735 -1.5346 1.7145 C 0 0 2 0 0 0 0 0 0 0 0 0 -12.1768 -1.8449 0.8060 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3667 -1.3858 -0.4113 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.5261 -1.7590 -1.2693 C 0 0 1 0 0 0 0 0 0 0 0 0 -13.7719 -3.1152 -1.0729 O 0 0 0 0 0 0 0 0 0 0 0 0 -14.7454 -0.9959 -0.7960 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.9623 -1.3327 -1.6336 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.1806 -0.5875 -1.1782 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.0103 0.9059 -1.2549 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.7241 1.3576 -2.6809 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6580 -0.6971 -2.4457 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9345 -1.3714 -2.4188 H 0 0 0 0 0 0 0 0 0 0 0 0 18.3271 -2.4027 -2.7906 H 0 0 0 0 0 0 0 0 0 0 0 0 18.5362 -2.8535 -0.4859 H 0 0 0 0 0 0 0 0 0 0 0 0 18.9093 -1.1115 -0.2507 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0876 -1.8506 1.1317 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1750 -2.4431 -0.2707 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1624 0.0450 -1.1201 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0981 0.4442 0.3950 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3230 -0.3307 1.7694 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7405 0.9427 0.5783 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8015 -0.7204 -0.9126 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2948 -2.0883 0.0882 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0259 -1.6509 0.3999 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8215 -1.3014 1.9441 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8824 1.1416 1.3696 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2623 0.4939 1.6074 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3917 2.0168 -0.3235 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7730 1.0358 -1.0272 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7514 0.7485 -2.2368 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2239 -0.8023 -1.5466 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8417 -0.6027 -1.2218 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6220 -0.5090 0.3667 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5028 1.8995 0.4885 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8788 2.0307 -1.1497 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6714 0.7103 1.3686 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1183 2.1930 0.5526 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8677 -0.5976 -0.7401 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6292 0.2546 0.2350 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8126 2.2240 -1.2678 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2293 1.5823 -2.0743 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3043 1.6488 -3.4781 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8584 -0.0327 -3.3675 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4135 0.3436 -3.4564 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4758 1.3348 -1.9468 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9753 -1.7094 -2.0188 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8766 -0.6228 -0.5458 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8443 -1.7004 -0.9041 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6375 -0.9136 -2.5534 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8604 2.5304 0.8846 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8958 1.3736 2.3018 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1117 2.5896 2.4366 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8559 0.7264 3.0197 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0810 1.6130 -0.3464 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2201 3.2112 -0.0668 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9997 3.4907 2.8542 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6318 3.7401 1.1930 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2068 2.5363 2.7719 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9829 1.2558 2.9776 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1130 0.8223 0.4095 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3878 2.0359 0.3843 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6018 -0.5576 1.9960 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1798 -0.2260 0.3581 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4559 1.7478 1.2678 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8321 1.4082 2.8862 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9306 -0.8149 2.9439 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0116 0.6383 2.9156 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6001 0.2668 0.5782 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1080 -2.3849 1.7052 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7966 -3.5281 0.4826 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8192 -3.6580 1.5945 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4508 -3.8238 3.3917 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4414 -1.0757 2.6566 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9372 -2.5387 1.1771 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6632 -0.7047 -0.8239 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3132 -1.5603 -2.3427 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.4482 -3.2038 -0.3731 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.9556 -1.2437 0.2559 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.5556 0.0935 -0.8453 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.1229 -2.4166 -1.5292 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.7970 -1.1153 -2.7056 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.4140 -0.8356 -0.1212 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.0476 -0.9238 -1.7755 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.2144 1.2352 -0.5853 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.9578 1.3700 -0.9366 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.8310 0.8754 -3.1045 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.5845 2.4420 -2.6960 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.6325 1.1567 -3.3092 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 24 26 1 0 26 27 1 0 27 28 1 0 28 29 2 0 28 30 1 0 30 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 2 0 37 39 1 0 39 40 1 0 40 41 1 0 40 42 1 0 42 43 1 0 43 44 2 0 44 45 1 0 45 46 1 0 45 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 42 36 1 0 1 52 1 0 1 53 1 0 1 54 1 0 2 55 1 0 2 56 1 0 3 57 1 0 3 58 1 0 4 59 1 0 4 60 1 0 5 61 1 0 5 62 1 0 6 63 1 0 6 64 1 0 7 65 1 0 7 66 1 0 8 67 1 0 8 68 1 0 9 69 1 0 9 70 1 0 10 71 1 0 10 72 1 0 11 73 1 0 11 74 1 0 12 75 1 0 12 76 1 0 13 77 1 0 13 78 1 0 14 79 1 0 14 80 1 0 15 81 1 0 15 82 1 0 16 83 1 0 16 84 1 0 17 85 1 0 17 86 1 0 18 87 1 0 18 88 1 0 19 89 1 0 19 90 1 0 23 91 1 0 23 92 1 0 24 93 1 1 25 94 1 0 26 95 1 0 26 96 1 0 30 97 1 0 30 98 1 0 31 99 1 0 31100 1 0 32101 1 0 32102 1 0 33103 1 0 33104 1 0 34105 1 0 34106 1 0 35107 1 0 35108 1 0 36109 1 6 39110 1 0 39111 1 0 40112 1 6 41113 1 0 42114 1 1 43115 1 0 44116 1 0 45117 1 6 46118 1 0 47119 1 0 47120 1 0 48121 1 0 48122 1 0 49123 1 0 49124 1 0 50125 1 0 50126 1 0 51127 1 0 51128 1 0 51129 1 0 M END