HMDB0287376 RDKit 3D PC(6 keto-PGF1alpha/20:3(8Z,11Z,14Z)) 146146 0 0 0 0 0 0 0 0999 V2000 -3.7525 4.9473 7.7090 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6250 3.9331 7.9193 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7966 2.8301 6.9131 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7716 1.7494 6.9843 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3411 2.2758 6.7526 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3347 2.8747 5.4146 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4406 2.4478 4.4589 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3876 1.3188 4.6294 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9828 0.2988 3.6248 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7808 -0.1119 2.6994 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1627 0.3926 2.5540 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0468 -0.8122 2.7264 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8859 -1.2801 1.8758 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1130 -0.6839 0.5602 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5550 -0.2276 0.3990 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8830 0.3778 -0.9257 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6842 -0.6023 -2.0217 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0261 -0.1002 -3.3839 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2657 1.0590 -3.8955 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8072 0.8021 -4.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2625 -0.2667 -3.6718 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9844 1.7986 -4.5597 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5802 1.5322 -4.6818 C 0 0 2 0 0 0 0 0 0 0 0 0 2.1697 1.5777 -6.1397 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7978 1.3178 -6.2518 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1398 0.1797 -5.8725 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7933 -0.7575 -5.3678 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3449 0.0890 -6.0719 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9775 0.5931 -4.7849 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4736 0.5557 -4.8125 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0638 -0.8058 -5.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6868 -1.7724 -3.9406 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9842 -1.4262 -3.0281 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2119 -3.1491 -4.0499 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6865 -4.0669 -2.9664 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.3272 -5.4356 -3.1818 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.6446 -5.3644 -3.5561 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4377 -6.0193 -4.2568 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0733 -5.7379 -3.6589 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.0911 -5.8078 -4.6472 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2037 -4.3503 -3.1566 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.3718 -4.0270 -1.9971 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6051 -4.8613 -1.3063 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1922 -4.3851 -0.1408 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.2092 -3.0910 0.2314 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0884 -5.3270 1.0381 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3618 -5.4455 1.4808 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3716 -6.4023 2.6612 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7740 -6.6103 3.2065 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6707 -7.5642 4.3616 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8376 2.6002 -3.9470 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0733 3.8682 -4.4357 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1584 4.9629 -3.5026 P 0 0 0 0 0 5 0 0 0 0 0 0 2.0895 5.9679 -2.8379 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1223 5.8481 -4.5250 O 0 0 0 0 0 1 0 0 0 0 0 0 0.2650 4.1337 -2.3221 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7084 4.5158 -1.0547 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0567 3.8036 0.0206 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4769 4.0676 -0.0204 N 0 0 0 0 0 4 0 0 0 0 0 0 -2.2021 3.0113 -0.7000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9518 4.1006 1.3568 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7936 5.3234 -0.6620 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5421 4.5267 7.0302 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2397 5.1971 8.6634 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3720 5.8698 7.2273 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6838 4.4760 7.7301 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6894 3.5769 8.9557 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7824 2.3572 7.1195 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8685 3.2771 5.8930 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0281 0.9836 6.2436 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8228 1.2698 7.9827 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3342 1.4819 6.9825 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2131 3.0996 7.5178 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0160 3.7362 5.1841 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4083 2.9366 3.4593 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2948 0.7877 5.6058 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3928 1.7193 4.5332 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0576 -0.0743 3.7407 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4239 -0.8728 1.9808 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5141 1.1118 3.2786 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2158 0.8150 1.5206 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9241 -1.3077 3.6991 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4694 -2.1724 2.1392 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4992 0.1872 0.3278 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8697 -1.4536 -0.2138 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8067 0.4452 1.2565 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1665 -1.1565 0.6042 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9588 0.6558 -0.8932 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2347 1.2863 -1.0234 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3636 -1.4682 -1.8198 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6580 -1.0367 -1.9713 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8096 -0.9612 -4.0882 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1267 0.0384 -3.4911 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6138 1.2618 -4.9486 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4154 2.0008 -3.3543 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3551 0.5279 -4.2902 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3498 2.6080 -6.5228 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7280 0.8193 -6.7435 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6102 0.7628 -6.9111 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6571 -0.9246 -6.3383 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5493 0.1227 -3.8931 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6971 1.6821 -4.6983 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8069 0.9359 -3.8045 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8716 1.2960 -5.5275 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1628 -0.7074 -5.0017 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7257 -1.2700 -5.9725 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3229 -3.1770 -4.0936 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8830 -3.5831 -5.0293 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9163 -3.6576 -1.9621 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1469 -6.0232 -2.2665 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8093 -6.1281 -4.1957 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6389 -7.1186 -4.2969 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5889 -5.5427 -5.2350 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9381 -6.5260 -2.8886 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1058 -6.6810 -5.1185 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8562 -3.6708 -3.9918 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3586 -2.9985 -1.6379 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5654 -5.8774 -1.5967 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2656 -4.3185 -0.4109 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3119 -2.3909 -0.2561 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6292 -4.8421 1.8771 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5061 -6.2940 0.7435 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0008 -5.7941 0.6474 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7279 -4.4689 1.8583 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9395 -7.3514 2.2960 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6952 -5.9834 3.4141 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3501 -7.0983 2.3947 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2664 -5.6666 3.4433 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6068 -7.6481 4.7222 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2382 -7.1984 5.2428 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9790 -8.5937 4.1033 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7350 2.4093 -4.0931 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0713 2.6202 -2.8606 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7693 4.1662 -0.9780 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7165 5.6054 -0.9266 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3522 4.1305 1.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1607 2.7145 -0.0661 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5161 2.3247 -1.2381 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8451 2.4243 0.0131 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8953 3.4355 -1.4543 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9369 4.5795 1.4469 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1980 4.5538 2.0318 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0645 3.0429 1.6669 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1575 6.1566 -0.3446 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8478 5.5609 -0.4095 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7614 5.1813 -1.7752 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 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 1 0 30 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 36 38 1 0 38 39 1 0 39 40 1 0 39 41 1 0 41 42 1 0 42 43 2 0 43 44 1 0 44 45 1 0 44 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 23 51 1 0 51 52 1 0 52 53 1 0 53 54 2 0 53 55 1 0 53 56 1 0 56 57 1 0 57 58 1 0 58 59 1 0 59 60 1 0 59 61 1 0 59 62 1 0 41 35 1 0 1 63 1 0 1 64 1 0 1 65 1 0 2 66 1 0 2 67 1 0 3 68 1 0 3 69 1 0 4 70 1 0 4 71 1 0 5 72 1 0 5 73 1 0 6 74 1 0 7 75 1 0 8 76 1 0 8 77 1 0 9 78 1 0 10 79 1 0 11 80 1 0 11 81 1 0 12 82 1 0 13 83 1 0 14 84 1 0 14 85 1 0 15 86 1 0 15 87 1 0 16 88 1 0 16 89 1 0 17 90 1 0 17 91 1 0 18 92 1 0 18 93 1 0 19 94 1 0 19 95 1 0 23 96 1 1 24 97 1 0 24 98 1 0 28 99 1 0 28100 1 0 29101 1 0 29102 1 0 30103 1 0 30104 1 0 31105 1 0 31106 1 0 34107 1 0 34108 1 0 35109 1 1 36110 1 1 37111 1 0 38112 1 0 38113 1 0 39114 1 1 40115 1 0 41116 1 6 42117 1 0 43118 1 0 44119 1 6 45120 1 0 46121 1 0 46122 1 0 47123 1 0 47124 1 0 48125 1 0 48126 1 0 49127 1 0 49128 1 0 50129 1 0 50130 1 0 50131 1 0 51132 1 0 51133 1 0 57134 1 0 57135 1 0 58136 1 0 58137 1 0 60138 1 0 60139 1 0 60140 1 0 61141 1 0 61142 1 0 61143 1 0 62144 1 0 62145 1 0 62146 1 0 M CHG 2 55 -1 59 1 M END