HMDB0298783 RDKit 3D DG(i-14:0/0:0/6 keto-PGF1alpha) 112112 0 0 0 0 0 0 0 0999 V2000 -14.9005 1.6538 1.1529 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.0110 0.8273 0.2735 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.3886 -0.3512 1.0199 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5252 -1.0584 -0.0338 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8180 -2.2586 0.5194 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9989 -2.9038 -0.5789 C 0 0 2 0 0 0 0 0 0 0 0 0 -10.3219 -4.0344 -0.1038 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.9909 -1.9045 -1.0379 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6794 -2.1130 -1.0045 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6958 -1.0966 -1.4670 C 0 0 1 0 0 0 0 0 0 0 0 0 -8.3567 0.2167 -1.7866 C 0 0 2 0 0 0 0 0 0 0 0 0 -9.0355 0.1876 -3.0069 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.1937 1.1756 -1.8234 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1658 0.5704 -0.9133 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.9706 0.3119 -1.5798 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7528 -0.7045 -0.3336 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.6390 -1.7128 -0.1981 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6981 -1.4432 0.8993 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8847 -2.0890 1.9353 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5683 -0.4940 0.8881 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7136 -0.7284 2.1230 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5603 0.2558 2.1633 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6749 0.1657 0.9540 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3889 1.2022 1.1355 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5078 1.8875 2.1761 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3195 1.4516 0.1091 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3254 2.4533 0.2982 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1539 2.5810 -0.9197 C 0 0 2 0 0 0 0 0 0 0 0 0 2.2876 2.9283 -2.0026 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9961 1.4232 -1.3002 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9003 0.9625 -0.4057 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7660 0.2517 0.7191 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6458 -0.1341 1.1026 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9756 -0.1130 1.5695 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7264 -1.1899 0.8872 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2324 -0.9358 -0.4469 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2983 -0.0559 -0.8976 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4147 1.3801 -0.6914 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7394 2.0381 0.5601 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0497 2.0810 1.1974 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9339 0.9356 1.4160 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6589 0.4367 0.1891 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5038 -0.7909 0.4431 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1813 -1.1679 -0.8729 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0545 -0.0137 -1.3385 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9592 -2.4325 -0.7939 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.7483 2.0988 0.5556 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.3270 1.1214 2.0163 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.3339 2.5535 1.5281 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.5683 0.4735 -0.6106 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1877 1.5005 -0.1116 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2271 -0.9978 1.3469 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7783 0.0479 1.8527 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1996 -1.3535 -0.8479 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7950 -0.2700 -0.3485 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5256 -2.9801 0.9590 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0967 -1.8898 1.2818 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6775 -3.2428 -1.3594 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7779 -4.4472 0.6826 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2917 -0.9442 -1.4336 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3189 -3.0564 -0.6283 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0834 -1.4146 -2.3129 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0257 0.5705 -0.9618 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4100 1.0799 -3.1396 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7619 1.1872 -2.8504 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4661 2.1913 -1.4795 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9573 1.2675 -0.0877 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3924 1.1284 -1.5907 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2490 -0.5405 0.6180 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1465 -2.7115 -0.0474 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1041 -1.7775 -1.1862 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9808 -0.6968 -0.0171 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9419 0.5556 0.8847 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3149 -0.5683 3.0286 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3568 -1.7682 2.0870 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9406 1.2970 2.2252 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0101 0.0670 3.1047 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2928 0.4208 0.0622 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2207 -0.8285 0.9194 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7661 3.4569 0.4511 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 2.3473 1.2138 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8509 3.4770 -0.8146 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4099 3.1924 -1.6505 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3285 0.5572 -1.6813 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5943 1.7034 -2.2477 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4598 0.7719 1.9055 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5267 -0.5563 2.5477 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5734 -1.5654 1.5738 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0551 -2.1315 0.9106 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4415 -2.0210 -0.8818 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3181 -0.7146 -1.1671 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2608 -0.6227 -0.6101 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3470 -0.1971 -2.0712 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0725 1.8477 -1.5452 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3951 1.8233 -1.0566 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5424 3.2014 0.3178 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9744 1.9363 1.3735 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7132 2.9054 0.7367 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8816 2.5602 2.2396 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4532 0.0835 1.9691 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7476 1.2602 2.1391 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4659 1.2636 0.0326 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1236 0.4315 -0.7403 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2415 -0.5499 1.2098 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8230 -1.6160 0.7012 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3722 -1.2659 -1.6378 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7623 -0.3688 -2.1053 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4549 0.8096 -1.8054 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6499 0.4094 -0.5057 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3071 -3.2933 -1.0409 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4105 -2.5235 0.2184 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8038 -2.3366 -1.5378 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 28 30 1 0 30 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 44 46 1 0 16 10 1 0 1 47 1 0 1 48 1 0 1 49 1 0 2 50 1 0 2 51 1 0 3 52 1 0 3 53 1 0 4 54 1 0 4 55 1 0 5 56 1 0 5 57 1 0 6 58 1 6 7 59 1 0 8 60 1 0 9 61 1 0 10 62 1 6 11 63 1 1 12 64 1 0 13 65 1 0 13 66 1 0 14 67 1 1 15 68 1 0 16 69 1 1 17 70 1 0 17 71 1 0 20 72 1 0 20 73 1 0 21 74 1 0 21 75 1 0 22 76 1 0 22 77 1 0 23 78 1 0 23 79 1 0 27 80 1 0 27 81 1 0 28 82 1 1 29 83 1 0 30 84 1 0 30 85 1 0 34 86 1 0 34 87 1 0 35 88 1 0 35 89 1 0 36 90 1 0 36 91 1 0 37 92 1 0 37 93 1 0 38 94 1 0 38 95 1 0 39 96 1 0 39 97 1 0 40 98 1 0 40 99 1 0 41100 1 0 41101 1 0 42102 1 0 42103 1 0 43104 1 0 43105 1 0 44106 1 0 45107 1 0 45108 1 0 45109 1 0 46110 1 0 46111 1 0 46112 1 0 M END