HMDB0285718 RDKit 3D PC(14:1(9Z)/PGF2alpha) 131131 0 0 0 0 0 0 0 0999 V2000 5.9578 4.5939 -2.2013 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3702 4.0902 -3.4959 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3723 5.1454 -3.9886 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2725 5.3337 -2.9529 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3192 6.3407 -3.4006 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0731 7.4584 -2.7537 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6923 7.8895 -1.4973 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7701 8.1783 -0.3867 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8537 7.1508 0.1377 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2092 6.6384 -0.7700 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0800 5.5943 -0.0617 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2403 4.4223 0.3803 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4513 3.7781 -0.8196 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5807 3.2571 -1.7786 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7676 3.1369 -1.3663 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2933 2.9111 -3.0713 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2315 2.3954 -3.9728 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5804 0.9924 -3.6436 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.4900 0.3788 -4.6975 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9490 0.6179 -5.9403 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8783 -0.0072 -7.1945 P 0 0 0 0 0 5 0 0 0 0 0 0 -4.3204 -0.2223 -6.7563 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9288 1.1797 -8.4249 O 0 0 0 0 0 1 0 0 0 0 0 0 -2.2160 -1.3874 -7.8833 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3020 -2.5128 -7.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6794 -3.6480 -7.8170 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6780 -4.8924 -7.1143 N 0 0 0 0 0 4 0 0 0 0 0 0 -0.5271 -4.8818 -6.2070 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8378 -5.1228 -6.2867 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5107 -6.0328 -7.9887 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0466 0.8021 -2.3535 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3840 0.0007 -1.4209 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3205 -0.5347 -1.8532 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7995 -0.2590 -0.0457 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1421 0.2635 0.3480 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3156 -0.1599 1.8203 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2160 0.5047 2.5585 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2617 -0.1244 3.2263 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2409 0.6836 3.9111 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1932 0.4269 5.3950 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.4595 0.6875 6.1016 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.5887 0.2374 5.3926 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4065 -0.1073 7.3648 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3261 -1.1400 7.1689 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.8847 -2.4037 7.3898 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0837 -1.0430 5.7077 C 0 0 2 0 0 0 0 0 0 0 0 0 1.5097 -1.3333 5.5709 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3369 -1.8324 6.4562 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7759 -2.0767 6.1966 C 0 0 1 0 0 0 0 0 0 0 0 0 4.3765 -2.6138 7.3395 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1287 -2.8131 4.9736 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6529 -4.1949 4.7866 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1679 -4.3881 4.7886 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8234 -5.8610 4.5513 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3384 -6.0109 4.5589 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9405 4.0997 -1.9872 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2898 4.3098 -1.3659 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0915 5.6886 -2.2426 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8371 3.1303 -3.2656 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1294 3.9431 -4.2780 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8965 6.0825 -4.1728 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8881 4.7225 -4.8868 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6976 5.4549 -1.9640 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7400 4.3323 -2.9222 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7610 6.1622 -4.3441 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3127 8.1199 -3.2385 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5138 7.1801 -1.2066 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2528 8.8749 -1.7184 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3648 8.5638 0.5081 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1259 9.0832 -0.6336 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3206 7.5918 1.0286 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4749 6.3078 0.5637 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9218 7.4574 -1.0649 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1483 6.2172 -1.7101 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4840 6.0808 0.8551 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9283 5.3231 -0.6819 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4400 4.7336 1.1670 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9522 3.6851 0.8451 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9728 2.8731 -0.4054 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0994 4.5289 -1.2438 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1618 3.0246 -3.9964 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7542 2.4542 -4.9994 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6175 0.4030 -3.7447 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6526 -0.6865 -4.5614 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4649 0.8845 -4.6149 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3639 -2.7036 -6.9003 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8223 -2.3546 -6.0668 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3234 -3.8011 -8.7321 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6506 -3.4362 -8.1520 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7030 -5.5572 -5.3410 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3880 -3.8577 -5.8005 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3963 -5.2311 -6.7117 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6747 -5.4273 -6.9593 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6111 -6.0521 -5.6928 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1273 -4.2890 -5.6483 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0253 -5.9180 -8.9451 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4209 -6.1869 -8.1454 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8607 -6.9481 -7.4294 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8520 -1.3835 0.0686 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0634 0.1272 0.6980 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9567 -0.1624 -0.2656 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1826 1.3738 0.3211 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2899 0.1645 2.2039 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1630 -1.2620 1.8396 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2404 1.6122 2.5168 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2604 -1.1994 3.2475 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4267 1.7575 3.7522 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7767 0.4566 3.5259 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6129 1.0411 5.8293 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5896 1.7802 6.3001 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3734 0.4112 5.9615 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0782 0.5310 8.2441 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3884 -0.5887 7.6089 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5181 -0.9674 7.8709 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2271 -3.1181 7.4468 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5734 -1.6582 5.0923 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9694 -1.1068 4.5854 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9423 -2.0997 7.4379 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2381 -1.0448 6.0970 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0433 -3.3111 7.1157 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8153 -2.2076 4.0767 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2565 -2.8502 4.9290 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1490 -4.9279 5.4712 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0212 -4.5304 3.7607 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8138 -4.1439 5.8302 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7069 -3.7522 4.0266 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3696 -6.5077 5.2339 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1700 -6.0622 3.5150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1370 -5.7114 3.6035 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0786 -5.3550 5.3488 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0146 -7.0501 4.7837 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 2 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 2 0 14 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 2 0 21 23 1 0 21 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 27 29 1 0 27 30 1 0 18 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 1 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 6 66 1 0 7 67 1 0 7 68 1 0 8 69 1 0 8 70 1 0 9 71 1 0 9 72 1 0 10 73 1 0 10 74 1 0 11 75 1 0 11 76 1 0 12 77 1 0 12 78 1 0 13 79 1 0 13 80 1 0 17 81 1 0 17 82 1 0 18 83 1 1 19 84 1 0 19 85 1 0 25 86 1 0 25 87 1 0 26 88 1 0 26 89 1 0 28 90 1 0 28 91 1 0 28 92 1 0 29 93 1 0 29 94 1 0 29 95 1 0 30 96 1 0 30 97 1 0 30 98 1 0 34 99 1 0 34100 1 0 35101 1 0 35102 1 0 36103 1 0 36104 1 0 37105 1 0 38106 1 0 39107 1 0 39108 1 0 40109 1 1 41110 1 1 42111 1 0 43112 1 0 43113 1 0 44114 1 1 45115 1 0 46116 1 6 47117 1 0 48118 1 0 49119 1 6 50120 1 0 51121 1 0 51122 1 0 52123 1 0 52124 1 0 53125 1 0 53126 1 0 54127 1 0 54128 1 0 55129 1 0 55130 1 0 55131 1 0 M CHG 2 23 -1 27 1 M END