HMDB0280121 RDKit 3D PIP(5-iso PGF2VI/20:4(8Z,11Z,14Z,17Z)) 146147 0 0 0 0 0 0 0 0999 V2000 16.0562 -1.3173 3.3852 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6780 -1.0653 2.7920 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5421 -1.9247 1.6123 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3381 -1.4441 0.4039 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2203 -0.0066 0.0659 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3048 0.2991 -0.9155 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0442 0.7741 -2.0994 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7065 1.0787 -2.6499 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5181 0.2611 -3.8706 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6005 -0.6203 -4.0907 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5428 -0.9716 -3.1139 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2489 -0.6497 -3.7523 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3353 0.1921 -3.2811 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5282 0.9135 -2.0257 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5881 0.6964 -0.9190 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1756 1.1213 -0.9753 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3558 0.5896 -2.0776 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8903 1.0233 -1.9759 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2869 0.4861 -0.7303 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8627 0.9086 -0.6013 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4344 1.7284 -1.4634 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0048 0.4704 0.3772 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6468 0.9093 0.4691 C 0 0 2 0 0 0 0 0 0 0 0 0 0.4578 1.5051 1.8453 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7748 0.6069 2.8850 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0309 0.4246 4.0373 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4484 0.5236 5.2105 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4010 0.0775 3.8783 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1585 -0.0702 5.1213 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4790 0.0644 5.1012 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1143 1.0952 4.2781 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6506 0.6419 2.9509 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.0160 1.2910 2.6854 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.2935 2.1404 3.7461 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0136 2.0169 1.3549 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2453 2.0164 0.5865 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.6889 3.3718 0.4808 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.3951 1.3618 -0.7086 C 0 0 2 0 0 0 0 0 0 0 0 0 -8.4732 0.3159 -0.7898 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8811 -0.3820 0.2405 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9829 -1.3818 -0.0323 C 0 0 2 0 0 0 0 0 0 0 0 0 -9.8201 -1.8394 -1.3213 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.3256 -0.6757 0.1558 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4688 -1.6104 -0.1023 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.7654 -0.8773 0.1204 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.8688 0.2770 -0.8354 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.2029 0.9630 -0.5548 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2137 1.0514 -1.5481 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.3186 2.1141 -1.4017 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6123 -0.3045 -1.4547 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.6291 -0.9227 -2.7455 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4069 -2.3791 -2.7831 P 0 0 0 0 0 5 0 0 0 0 0 0 -6.6460 -2.8539 -1.3545 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5175 -3.5930 -3.5622 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.8555 -2.2258 -3.6390 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1858 -0.3428 -0.9530 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.5963 0.8775 -1.2290 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9613 1.0230 -1.2277 P 0 0 0 0 0 5 0 0 0 0 0 0 -1.6070 1.3199 -2.7095 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5796 2.4808 -0.4596 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0514 -0.2705 -0.8370 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2265 -0.2821 0.2231 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9172 -0.9158 0.3690 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.0829 -2.0737 0.2438 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9921 -1.2501 1.3172 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.0631 -2.6740 1.4271 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7341 -0.8290 2.7544 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.8276 -1.3334 3.4882 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7564 -1.5769 2.5842 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4239 -0.3633 3.8493 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0345 -2.1095 4.1609 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5057 -0.0020 2.6449 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9673 -1.4390 3.5890 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6057 -3.0271 1.7016 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2465 -2.1483 -0.4327 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3853 0.6407 0.9176 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1958 0.1126 -0.3552 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3472 0.1190 -0.6320 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8935 0.9713 -2.7651 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8872 1.0534 -1.9487 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6937 2.1571 -3.0369 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2553 0.4320 -4.6795 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5756 -1.1604 -5.0507 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6279 -2.1190 -3.0378 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7341 -0.5282 -2.1460 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0389 -1.1534 -4.6879 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4634 0.3031 -3.9035 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4483 2.0406 -2.2700 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5610 0.8614 -1.6061 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0541 1.2077 -0.0047 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5904 -0.3879 -0.5664 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7481 0.8232 0.0509 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0922 2.2592 -0.8984 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6850 1.1368 -3.0167 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3847 -0.4852 -2.1453 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8183 2.1352 -1.9459 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3058 0.6524 -2.8376 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7756 0.8417 0.1995 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2445 -0.6426 -0.7717 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5556 1.6645 -0.3543 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2016 2.3477 1.9646 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5253 1.9910 1.9929 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8942 0.7284 3.1144 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3927 -0.9461 3.3853 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6098 -0.2955 6.0446 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0615 -0.6109 5.7159 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9441 1.5421 4.9149 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4306 1.9960 4.1540 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0036 1.1452 2.1912 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7514 0.4786 2.7355 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7038 2.9928 3.3954 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7853 3.0912 1.6505 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0881 1.7084 0.8502 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0528 1.5833 1.2632 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6196 3.6842 -0.4480 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9381 2.2017 -1.3433 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9404 0.1176 -1.7440 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4878 -0.3044 1.2426 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9609 -2.2350 0.6600 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3666 -2.6966 -1.3215 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3769 -0.3862 1.2423 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3290 0.2546 -0.4075 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4388 -1.9920 -1.1665 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4180 -2.5251 0.5308 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6824 -0.4458 1.1643 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.6512 -1.5449 0.0581 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8535 -0.1531 -1.8611 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0658 1.0009 -0.7475 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.4505 1.5593 -1.4361 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.9418 0.1680 -0.3728 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.0090 1.6033 0.3498 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5106 1.1663 -2.6488 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7531 2.9226 -1.7904 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3129 -0.9348 -0.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8822 -3.2068 -4.2139 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0359 -3.0121 -4.2110 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6386 -0.9987 -1.7076 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6704 3.2692 -1.0413 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8238 -0.4663 1.1371 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3987 -1.2251 0.1356 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2017 -0.2610 0.9849 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1482 -2.3735 -0.6955 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0319 -1.0080 1.0173 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6998 -3.0751 0.5945 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8404 -1.2887 3.2008 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5311 -1.7112 2.9338 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 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 2 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 2 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 33 35 1 0 35 36 1 0 36 37 1 0 36 38 1 0 38 39 1 0 39 40 2 0 40 41 1 0 41 42 1 0 41 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 38 48 1 0 48 49 1 0 48 50 1 0 50 51 1 0 51 52 1 0 52 53 2 0 52 54 1 0 52 55 1 0 50 56 1 0 56 57 1 0 57 58 1 0 58 59 2 0 58 60 1 0 58 61 1 0 61 62 1 0 56 63 1 0 63 64 1 0 63 65 1 0 65 66 1 0 65 67 1 0 67 68 1 0 62 23 1 0 67 32 1 0 1 69 1 0 1 70 1 0 1 71 1 0 2 72 1 0 2 73 1 0 3 74 1 0 4 75 1 0 5 76 1 0 5 77 1 0 6 78 1 0 7 79 1 0 8 80 1 0 8 81 1 0 9 82 1 0 10 83 1 0 11 84 1 0 11 85 1 0 12 86 1 0 13 87 1 0 14 88 1 0 14 89 1 0 15 90 1 0 15 91 1 0 16 92 1 0 16 93 1 0 17 94 1 0 17 95 1 0 18 96 1 0 18 97 1 0 19 98 1 0 19 99 1 0 23100 1 6 24101 1 0 24102 1 0 28103 1 0 28104 1 0 29105 1 0 30106 1 0 31107 1 0 31108 1 0 32109 1 6 33110 1 6 34111 1 0 35112 1 0 35113 1 0 36114 1 1 37115 1 0 38116 1 6 39117 1 0 40118 1 0 41119 1 1 42120 1 0 43121 1 0 43122 1 0 44123 1 0 44124 1 0 45125 1 0 45126 1 0 46127 1 0 46128 1 0 47129 1 0 47130 1 0 47131 1 0 48132 1 6 49133 1 0 50134 1 1 54135 1 0 55136 1 0 56137 1 6 60138 1 0 62139 1 0 62140 1 0 63141 1 1 64142 1 0 65143 1 6 66144 1 0 67145 1 1 68146 1 0 M END