HMDB0287030 RDKit 3D PC(20:0/PGF1alpha) 153153 0 0 0 0 0 0 0 0999 V2000 1.1328 1.6164 -8.0562 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1327 2.3397 -8.4238 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3234 1.3910 -8.3474 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5367 2.1781 -8.7323 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7962 1.3770 -8.7253 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0740 0.8174 -7.3065 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3308 0.0547 -7.4319 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9236 -0.6428 -6.2980 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3798 0.0428 -5.0922 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4380 0.7970 -4.2503 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2884 -0.0695 -3.7116 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4418 0.8341 -2.8883 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3449 0.1885 -2.1610 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2648 -0.5537 -2.8065 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4970 -1.8073 -3.5266 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3093 -2.4818 -4.1254 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4701 -1.8586 -5.1762 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2095 -0.6115 -5.1042 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3278 -0.4050 -4.1756 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1539 -0.4725 -2.7447 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0926 -1.5617 -2.0954 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0372 0.6703 -1.9096 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8740 0.4761 -0.5244 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8417 1.7369 0.2916 C 0 0 2 0 0 0 0 0 0 0 0 0 0.6459 2.5648 0.0504 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5133 3.1190 -1.2019 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8908 4.0621 -1.2833 P 0 0 0 0 0 5 0 0 0 0 0 0 -0.5264 5.5506 -1.2387 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6344 3.8119 -2.8015 O 0 0 0 0 0 1 0 0 0 0 0 0 -2.0022 3.7121 -0.0905 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1649 4.7205 0.8317 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1903 4.3521 1.8741 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4938 4.0982 1.2942 N 0 0 0 0 0 4 0 0 0 0 0 0 -5.3738 3.4703 2.2689 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4468 3.2263 0.1401 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1389 5.3360 0.8816 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0854 2.4093 0.1138 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0064 2.4928 1.1509 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6377 1.9263 2.2244 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3174 3.1603 1.0900 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1096 2.7615 2.3223 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3791 1.2691 2.3331 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1342 0.9426 3.5953 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5110 -0.4618 3.7481 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6008 -1.5848 3.7457 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5280 -1.8428 4.6938 C 0 0 1 0 0 0 0 0 0 0 0 0 4.3631 -0.9459 4.8553 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5088 0.3900 4.7588 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4082 -1.3686 3.7196 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8068 -2.7564 3.3542 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2961 -2.8464 2.0416 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7921 -3.1766 4.3704 C 0 0 2 0 0 0 0 0 0 0 0 0 4.1754 -3.6202 5.6353 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9077 -3.8160 5.8830 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4057 -4.2859 7.2630 C 0 0 1 0 0 0 0 0 0 0 0 0 1.0441 -4.6781 6.9652 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0866 -5.5172 7.6657 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8088 -6.0604 8.9975 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5101 -6.4255 9.5314 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4853 -5.3972 9.8557 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7782 -6.1058 10.4227 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1179 0.5533 -8.3616 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0165 2.0761 -8.5849 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3535 1.7619 -6.9733 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2778 3.1458 -7.6815 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0862 2.7347 -9.4438 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1700 0.5103 -8.9973 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3832 1.0788 -7.2727 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6642 2.9918 -7.9606 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4247 2.6276 -9.7400 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8528 0.5760 -9.4670 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6394 2.1155 -8.8671 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0884 1.7179 -6.6877 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1837 0.1990 -7.0731 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0778 0.7575 -7.9358 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1517 -0.6955 -8.2778 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8367 -1.2045 -6.7106 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2922 -1.5325 -5.9514 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2854 0.6981 -5.2565 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8241 -0.7653 -4.4122 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0231 1.7188 -4.6449 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9484 1.1330 -3.2794 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6655 -0.3608 -4.5948 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6605 -0.9565 -3.2040 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0752 1.4749 -2.1978 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9567 1.5663 -3.6400 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8153 -0.4878 -1.3353 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8974 1.0358 -1.4946 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6975 0.1684 -3.4519 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5542 -0.8499 -1.9358 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8889 -2.5671 -2.7390 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2883 -1.8517 -4.2858 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2555 -2.9542 -3.2848 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7687 -3.4410 -4.6145 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2057 -2.6338 -5.6341 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2374 -1.7596 -6.0985 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7451 -0.5511 -6.1658 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6223 0.3438 -5.1906 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1523 -1.1337 -4.4416 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8102 0.5917 -4.4912 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9732 -0.1647 -0.2862 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7288 -0.1954 -0.1754 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7668 1.3803 1.3744 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5019 3.3198 0.8594 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2513 1.8837 0.1724 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3985 5.6864 0.3366 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2139 4.8883 1.3743 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3024 5.1560 2.6231 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8527 3.4382 2.4108 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1612 3.8505 3.2972 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4204 3.7965 2.0529 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3170 2.3622 2.2325 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2201 3.7684 -0.7930 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8245 2.3244 0.3091 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4934 2.8184 0.0084 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6320 5.7776 0.0129 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1706 5.0675 0.5647 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2540 6.0445 1.7376 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8734 2.9603 0.1563 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1444 4.2544 1.1351 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0847 3.2870 2.3273 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5569 3.0845 3.2240 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0943 1.0207 1.4865 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5124 0.6389 2.1548 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7398 1.5089 4.4243 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1546 1.4979 3.4106 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3442 -0.7028 2.9984 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1154 -0.5329 4.7369 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1359 -1.6989 2.6766 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2789 -2.5329 3.7817 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9630 -2.1091 5.7377 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8670 -1.2358 5.8418 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2291 0.9338 5.5438 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3619 -1.3207 4.1342 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4832 -0.7136 2.8510 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8739 -3.3852 3.3230 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0417 -3.7090 1.6119 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5438 -3.9081 3.9887 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8494 -3.8175 6.5017 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1927 -3.6360 5.0999 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3680 -3.4646 7.9595 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5821 -3.9269 6.5251 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2182 -5.4473 7.4973 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8317 -6.3655 6.9173 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5795 -6.9027 9.2372 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2448 -5.2524 9.7326 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0362 -7.2406 8.8845 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6869 -6.9796 10.5292 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8648 -4.8127 10.7726 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1078 -4.7408 9.1074 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4953 -6.8054 11.2189 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3144 -6.6438 9.6163 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4666 -5.3580 10.8606 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 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 1 0 27 28 2 0 27 29 1 0 27 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 33 35 1 0 33 36 1 0 24 37 1 0 37 38 1 0 38 39 2 0 38 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 47 49 1 0 49 50 1 0 50 51 1 0 50 52 1 0 52 53 1 0 53 54 2 0 54 55 1 0 55 56 1 0 55 57 1 0 57 58 1 0 58 59 1 0 59 60 1 0 60 61 1 0 52 46 1 0 1 62 1 0 1 63 1 0 1 64 1 0 2 65 1 0 2 66 1 0 3 67 1 0 3 68 1 0 4 69 1 0 4 70 1 0 5 71 1 0 5 72 1 0 6 73 1 0 6 74 1 0 7 75 1 0 7 76 1 0 8 77 1 0 8 78 1 0 9 79 1 0 9 80 1 0 10 81 1 0 10 82 1 0 11 83 1 0 11 84 1 0 12 85 1 0 12 86 1 0 13 87 1 0 13 88 1 0 14 89 1 0 14 90 1 0 15 91 1 0 15 92 1 0 16 93 1 0 16 94 1 0 17 95 1 0 17 96 1 0 18 97 1 0 18 98 1 0 19 99 1 0 19100 1 0 23101 1 0 23102 1 0 24103 1 1 25104 1 0 25105 1 0 31106 1 0 31107 1 0 32108 1 0 32109 1 0 34110 1 0 34111 1 0 34112 1 0 35113 1 0 35114 1 0 35115 1 0 36116 1 0 36117 1 0 36118 1 0 40119 1 0 40120 1 0 41121 1 0 41122 1 0 42123 1 0 42124 1 0 43125 1 0 43126 1 0 44127 1 0 44128 1 0 45129 1 0 45130 1 0 46131 1 1 47132 1 1 48133 1 0 49134 1 0 49135 1 0 50136 1 6 51137 1 0 52138 1 6 53139 1 0 54140 1 0 55141 1 1 56142 1 0 57143 1 0 57144 1 0 58145 1 0 58146 1 0 59147 1 0 59148 1 0 60149 1 0 60150 1 0 61151 1 0 61152 1 0 61153 1 0 M CHG 2 29 -1 33 1 M END