HMDB0262259 RDKit 3D PE(PGE2/20:3(8Z,11Z,14Z)) 134134 0 0 0 0 0 0 0 0999 V2000 1.4738 9.5644 -2.0033 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7431 8.4698 -1.2360 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7202 8.6321 -1.5094 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5559 7.5945 -0.8119 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3572 7.6552 0.7127 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2724 6.6641 1.3000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9508 5.6290 2.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5325 5.2710 2.3470 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2402 3.9145 1.8064 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0818 2.8777 2.5604 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1874 2.9454 3.9983 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4176 2.6817 4.7049 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5944 2.4026 4.2592 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0171 2.2822 2.8803 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2021 3.2569 2.6584 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7204 3.1654 1.2619 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7269 3.6106 0.2533 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2582 3.4779 -1.1788 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4924 2.0256 -1.5613 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1503 1.3130 -1.5066 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8148 0.8108 -0.4222 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3578 1.2447 -2.6100 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0844 0.6517 -2.7146 C 0 0 2 0 0 0 0 0 0 0 0 0 1.0062 -0.3648 -3.8144 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8695 -1.4733 -3.6303 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9124 -2.4879 -4.5784 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1535 -2.3429 -5.5938 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7852 -3.6444 -4.3937 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3999 -3.7517 -3.0323 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3477 -3.8667 -1.9381 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5441 -5.0772 -2.2050 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2483 -5.1193 -2.4265 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5793 -3.9132 -2.4358 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6436 -4.0065 -1.3481 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.4084 -2.7100 -1.4672 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9871 -1.6516 -1.1038 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7112 -3.0275 -2.0944 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9816 -4.3864 -1.4633 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.0585 -5.0369 -1.9973 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6608 -5.0895 -1.6157 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.4944 -6.2055 -0.6733 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4255 -6.6163 0.1766 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1588 -7.7477 1.0837 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.6860 -8.8966 0.4467 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7400 -8.0301 1.3896 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9595 -6.9500 2.0441 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5000 -6.5056 3.3795 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5694 -5.4037 3.8973 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5101 -4.2295 2.9632 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0744 1.7551 -2.9957 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2259 1.2946 -3.1331 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2320 2.6280 -3.4666 P 0 0 0 0 0 5 0 0 0 0 0 0 -1.4042 3.9052 -3.5241 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9255 2.4182 -4.9917 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4226 2.7673 -2.2755 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6335 2.9688 -2.9323 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7871 3.1190 -1.9731 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9210 1.9316 -1.1557 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9584 9.7854 -2.9795 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4528 10.4835 -1.3851 H 0 0 0 0 0 0 0 0 0 0 0 0 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0 43 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 23 50 1 0 50 51 1 0 51 52 1 0 52 53 2 0 52 54 1 0 52 55 1 0 55 56 1 0 56 57 1 0 57 58 1 0 40 34 1 0 1 59 1 0 1 60 1 0 1 61 1 0 2 62 1 0 2 63 1 0 3 64 1 0 3 65 1 0 4 66 1 0 4 67 1 0 5 68 1 0 5 69 1 0 6 70 1 0 7 71 1 0 8 72 1 0 8 73 1 0 9 74 1 0 10 75 1 0 11 76 1 0 11 77 1 0 12 78 1 0 13 79 1 0 14 80 1 0 14 81 1 0 15 82 1 0 15 83 1 0 16 84 1 0 16 85 1 0 17 86 1 0 17 87 1 0 18 88 1 0 18 89 1 0 19 90 1 0 19 91 1 0 23 92 1 1 24 93 1 0 24 94 1 0 28 95 1 0 28 96 1 0 29 97 1 0 29 98 1 0 30 99 1 0 30100 1 0 31101 1 0 32102 1 0 33103 1 0 33104 1 0 34105 1 1 37106 1 0 37107 1 0 38108 1 1 39109 1 0 40110 1 6 41111 1 0 42112 1 0 43113 1 1 44114 1 0 45115 1 0 45116 1 0 46117 1 0 46118 1 0 47119 1 0 47120 1 0 48121 1 0 48122 1 0 49123 1 0 49124 1 0 49125 1 0 50126 1 0 50127 1 0 54128 1 0 56129 1 0 56130 1 0 57131 1 0 57132 1 0 58133 1 0 58134 1 0 M END