HMDB0285298 RDKit 3D PE(P-18:0/PGE2) 133133 0 0 0 0 0 0 0 0999 V2000 3.5294 -5.6193 -2.2944 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9826 -5.7823 -0.8902 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4925 -6.0325 -1.0056 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8039 -6.2226 0.3001 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9124 -5.0298 1.2369 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1907 -5.3396 2.5180 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2185 -4.2516 3.5435 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4073 -2.9742 3.0769 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4036 -1.8650 4.0668 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9223 -1.4204 4.5452 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8707 -0.2914 5.5478 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2181 0.9457 4.9902 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1560 2.0829 5.9565 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5741 1.8593 7.2051 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9821 1.4567 7.2103 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0121 2.3067 6.5803 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9320 2.5584 5.1522 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9568 2.1109 4.3930 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0145 2.2783 3.0290 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8126 1.1859 2.1171 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9362 1.6155 0.7060 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.3603 2.1273 0.4314 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6303 3.2060 1.2747 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.1788 3.8123 0.9150 P 0 0 0 0 0 5 0 0 0 0 0 0 -8.1927 2.7314 0.7252 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.6286 4.8576 2.1447 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.0406 4.6829 -0.5656 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8453 5.3990 -0.4259 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4955 6.2165 -1.6324 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3240 5.4240 -2.8279 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7187 0.5067 -0.1786 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8540 0.6761 -1.2854 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3384 1.7999 -1.4114 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6352 -0.4473 -2.1860 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9802 -0.1747 -3.4781 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6035 0.4090 -3.4237 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1097 0.6136 -4.7880 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9519 0.0695 -5.2750 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8255 -0.8330 -4.5357 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2653 -0.2923 -4.4620 C 0 0 1 0 0 0 0 0 0 0 0 0 3.8313 -0.1276 -5.8090 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9998 -0.9929 -6.6595 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1935 1.2900 -6.0305 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4675 2.0419 -4.9550 C 0 0 1 0 0 0 0 0 0 0 0 0 2.2866 2.6195 -5.4380 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2493 1.0515 -3.8592 C 0 0 2 0 0 0 0 0 0 0 0 0 4.3088 1.2192 -2.8136 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9311 1.5062 -1.5851 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8477 1.7064 -0.4404 C 0 0 1 0 0 0 0 0 0 0 0 0 4.1892 2.4875 0.5362 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2718 0.4435 0.2145 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0132 -0.4816 -0.7253 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3824 -1.7023 0.0948 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1451 -2.7329 -0.6760 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4354 -3.2936 -1.8629 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6557 -4.5471 -2.5218 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8561 -6.0889 -3.0491 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5121 -6.1438 -2.4101 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4996 -6.6825 -0.4615 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2318 -4.9406 -0.2319 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0034 -5.2791 -1.6577 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3906 -6.9977 -1.5653 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1153 -7.1496 0.8023 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2921 -6.3580 0.0846 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6157 -4.1066 0.7588 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9998 -4.9276 1.4846 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5715 -6.2702 2.9815 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8760 -5.5684 2.2500 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4137 -4.6269 4.4051 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2238 -4.1047 3.9897 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4950 -3.1619 2.8167 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0515 -2.6921 2.1080 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0264 -2.1391 4.9489 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8975 -0.9916 3.5430 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4363 -2.2714 5.0758 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6225 -1.0958 3.7512 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3210 -0.6247 6.4667 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9019 -0.0604 5.9057 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8750 1.2897 4.1389 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7581 0.7501 4.5332 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2618 2.2195 6.2759 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0446 3.0426 5.4520 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0080 1.1551 7.8824 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5149 2.8305 7.7964 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2822 1.4061 8.3148 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1190 0.3540 6.9279 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0530 3.3034 7.0911 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0157 1.8475 6.8516 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1718 3.0593 4.6244 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8060 1.5834 4.8342 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8181 0.7679 2.3524 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5512 0.3748 2.3577 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2758 2.4355 0.4109 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0500 1.3047 0.7028 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4827 2.3608 -0.6247 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8403 5.3651 2.4383 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9401 6.0776 0.4534 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0386 4.6915 -0.1952 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1862 7.0499 -1.8152 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4968 6.6892 -1.3995 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3347 5.3938 -3.1321 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7740 4.4954 -2.7969 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0730 -1.2481 -1.6138 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6349 -0.9134 -2.3986 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8736 -1.1451 -4.0461 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5892 0.4618 -4.1659 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0548 -0.0942 -2.7227 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7374 1.4567 -2.9978 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7119 1.2878 -5.4223 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2342 0.2777 -6.3251 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9361 -1.7623 -5.1714 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5594 -1.0721 -3.5107 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8530 -1.0438 -3.8739 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2913 1.4599 -6.0251 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7606 1.6590 -7.0108 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1140 2.8545 -4.5190 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5454 3.2827 -6.1226 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2314 1.1874 -3.3834 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3237 1.1061 -3.0816 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8456 1.6128 -1.3722 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7437 2.2969 -0.7567 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4577 3.0081 0.0872 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9244 0.6040 1.0941 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3623 -0.0679 0.6045 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9114 0.0492 -1.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3647 -0.7574 -1.5785 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0425 -1.3314 0.9129 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4971 -2.1411 0.5932 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4389 -3.5324 0.0628 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1008 -2.2490 -1.0114 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0110 -4.2835 -1.5590 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5877 -2.6941 -2.2224 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1783 -3.4149 -2.7011 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 2 3 18 19 1 0 19 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 24 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 21 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 2 0 38 39 1 0 39 40 1 0 40 41 1 0 41 42 2 0 41 43 1 0 43 44 1 0 44 45 1 0 44 46 1 0 46 47 1 0 47 48 2 0 48 49 1 0 49 50 1 0 49 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 46 40 1 0 1 56 1 0 1 57 1 0 1 58 1 0 2 59 1 0 2 60 1 0 3 61 1 0 3 62 1 0 4 63 1 0 4 64 1 0 5 65 1 0 5 66 1 0 6 67 1 0 6 68 1 0 7 69 1 0 7 70 1 0 8 71 1 0 8 72 1 0 9 73 1 0 9 74 1 0 10 75 1 0 10 76 1 0 11 77 1 0 11 78 1 0 12 79 1 0 12 80 1 0 13 81 1 0 13 82 1 0 14 83 1 0 14 84 1 0 15 85 1 0 15 86 1 0 16 87 1 0 16 88 1 0 17 89 1 0 18 90 1 0 20 91 1 0 20 92 1 0 21 93 1 6 22 94 1 0 22 95 1 0 26 96 1 0 28 97 1 0 28 98 1 0 29 99 1 0 29100 1 0 30101 1 0 30102 1 0 34103 1 0 34104 1 0 35105 1 0 35106 1 0 36107 1 0 36108 1 0 37109 1 0 38110 1 0 39111 1 0 39112 1 0 40113 1 1 43114 1 0 43115 1 0 44116 1 1 45117 1 0 46118 1 1 47119 1 0 48120 1 0 49121 1 6 50122 1 0 51123 1 0 51124 1 0 52125 1 0 52126 1 0 53127 1 0 53128 1 0 54129 1 0 54130 1 0 55131 1 0 55132 1 0 55133 1 0 M END