HMDB0262051 RDKit 3D PE(PGE2/20:2(11Z,14Z)) 136136 0 0 0 0 0 0 0 0999 V2000 12.6889 6.2747 -1.2618 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1987 5.3366 -0.1850 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1385 3.9308 -0.7474 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6304 2.9114 0.2463 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5322 1.5434 -0.4212 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9806 0.4675 0.4248 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3174 -0.5370 0.8583 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9325 -0.8720 0.6225 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0555 -0.0470 -0.1539 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4232 -0.3378 -1.2783 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5643 -1.6506 -1.9101 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1703 -2.2958 -1.9593 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6075 -2.4311 -0.5831 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2717 -3.0741 -0.4763 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1621 -2.3582 -1.2509 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0432 -0.9699 -0.7629 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0060 -0.0829 -1.2965 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5731 -0.2946 -0.9800 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0674 -1.6523 -1.3298 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5731 -1.7252 -1.0447 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7699 -1.2120 -1.8499 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0956 -2.3420 0.0770 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2492 -2.4444 0.4018 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.5785 -1.8157 1.7326 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9092 -2.0023 2.0441 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9728 -1.5421 1.3247 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8244 -0.8842 0.2798 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3317 -1.8812 1.8761 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7219 -0.7735 2.8142 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8078 0.5329 2.0417 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1695 1.6598 2.9053 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2579 2.3626 2.7431 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2403 2.1033 1.6840 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4256 3.2898 0.7394 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.2023 3.6784 0.0358 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1083 3.7801 0.5590 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5076 3.9223 -1.3881 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0418 3.8724 -1.4624 C 0 0 1 0 0 0 0 0 0 0 0 0 -8.4366 3.2494 -2.6431 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.4283 2.9683 -0.3127 C 0 0 2 0 0 0 0 0 0 0 0 0 -9.8285 3.2050 0.1490 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7231 2.1949 0.1796 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1120 2.4113 0.6365 C 0 0 1 0 0 0 0 0 0 0 0 0 -12.1795 2.5017 2.0205 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.7812 3.5986 0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9010 3.5386 -1.4742 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.7128 2.3481 -1.9348 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.1156 2.3825 -1.3671 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.8807 3.6078 -1.7665 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6224 -3.9126 0.4840 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3882 -4.5273 -0.7523 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8015 -6.1651 -0.6784 P 0 0 0 0 0 5 0 0 0 0 0 0 -0.1295 -6.9465 -1.7875 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4737 -6.3660 -0.8394 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2840 -6.7579 0.8102 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3695 -7.3445 1.4483 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9410 -7.8948 2.7972 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0908 -8.8887 2.6375 N 0 0 0 0 0 0 0 0 0 0 0 0 12.3908 7.2597 -0.8612 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7914 5.8532 -1.7551 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4845 6.3455 -2.0266 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6637 5.4365 0.7590 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2833 5.5550 0.0201 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6052 3.8804 -1.7291 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0375 3.7218 -0.8832 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6272 3.1149 0.6467 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8840 2.8924 1.0908 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6309 1.4905 -0.9897 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3487 1.6377 -1.2535 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0737 0.5335 0.7445 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8911 -1.2689 1.5202 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8679 -1.9515 0.2648 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4289 -1.0245 1.6770 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8157 0.9834 0.2238 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7681 0.4332 -1.7585 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2043 -2.3541 -1.4223 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8508 -1.5733 -2.9942 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5091 -1.6971 -2.6139 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2927 -3.2862 -2.4363 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6201 -1.4714 -0.0171 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3149 -3.0897 0.0086 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3187 -4.1445 -0.7782 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9821 -3.0532 0.6150 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2989 -2.9756 -1.3844 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5987 -2.2812 -2.3247 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9187 -0.9627 0.3746 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0492 -0.4351 -0.8734 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1375 0.1007 -2.4195 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2441 0.9651 -0.8788 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9378 0.4937 -1.4878 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3829 -0.0620 0.1190 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5068 -2.3463 -0.5585 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2208 -1.9509 -2.3480 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9150 -1.9591 -0.3611 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0227 -2.3108 2.5510 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3903 -0.7149 1.7279 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0621 -1.8969 1.0370 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3234 -2.8652 2.3744 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8843 -0.6930 3.5625 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6266 -0.9690 3.4062 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7411 0.7033 1.6717 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3884 0.3989 1.1377 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4480 1.8862 3.7248 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4678 3.1980 3.4282 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1573 1.1606 1.1553 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2478 2.0516 2.2271 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7336 4.1979 1.3458 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0687 3.1533 -2.0585 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1516 4.8988 -1.7493 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4561 4.8899 -1.3440 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4226 2.2738 -2.4762 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3288 1.9084 -0.5782 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1949 4.1675 0.4745 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4083 1.2271 -0.1335 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7170 1.5172 0.3177 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3999 1.6051 2.3735 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8152 3.6340 0.4490 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2360 4.4978 0.3635 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4092 4.4513 -1.8412 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9028 3.4312 -1.9685 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8310 2.4556 -3.0468 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2282 1.4041 -1.6880 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.0930 2.2170 -0.2741 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.6592 1.4997 -1.8090 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.8299 3.7290 -2.8540 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.9353 3.4897 -1.4829 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.5165 4.5241 -1.2495 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6996 -4.0393 0.7478 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0575 -4.4148 1.2061 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6707 -6.4282 -1.8222 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7830 -8.1809 0.8503 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2026 -6.6186 1.6128 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8235 -8.3125 3.3417 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5977 -7.0360 3.4331 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6673 -8.7214 1.7906 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3961 -9.8226 2.5093 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 2 0 7 8 1 0 8 9 1 0 9 10 2 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 25 26 1 0 26 27 2 0 26 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 2 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 2 0 35 37 1 0 37 38 1 0 38 39 1 0 38 40 1 0 40 41 1 0 41 42 2 0 42 43 1 0 43 44 1 0 43 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 23 50 1 0 50 51 1 0 51 52 1 0 52 53 2 0 52 54 1 0 52 55 1 0 55 56 1 0 56 57 1 0 57 58 1 0 40 34 1 0 1 59 1 0 1 60 1 0 1 61 1 0 2 62 1 0 2 63 1 0 3 64 1 0 3 65 1 0 4 66 1 0 4 67 1 0 5 68 1 0 5 69 1 0 6 70 1 0 7 71 1 0 8 72 1 0 8 73 1 0 9 74 1 0 10 75 1 0 11 76 1 0 11 77 1 0 12 78 1 0 12 79 1 0 13 80 1 0 13 81 1 0 14 82 1 0 14 83 1 0 15 84 1 0 15 85 1 0 16 86 1 0 16 87 1 0 17 88 1 0 17 89 1 0 18 90 1 0 18 91 1 0 19 92 1 0 19 93 1 0 23 94 1 6 24 95 1 0 24 96 1 0 28 97 1 0 28 98 1 0 29 99 1 0 29100 1 0 30101 1 0 30102 1 0 31103 1 0 32104 1 0 33105 1 0 33106 1 0 34107 1 1 37108 1 0 37109 1 0 38110 1 1 39111 1 0 40112 1 6 41113 1 0 42114 1 0 43115 1 6 44116 1 0 45117 1 0 45118 1 0 46119 1 0 46120 1 0 47121 1 0 47122 1 0 48123 1 0 48124 1 0 49125 1 0 49126 1 0 49127 1 0 50128 1 0 50129 1 0 54130 1 0 56131 1 0 56132 1 0 57133 1 0 57134 1 0 58135 1 0 58136 1 0 M END