HMDB0001320 RDKit 3D (13E)-11a-Hydroxy-9,15-dioxoprost-13-enoic acid 57 57 0 0 0 0 0 0 0 0999 V2000 -7.4970 -0.7599 1.2242 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3712 -0.8793 0.2487 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3783 0.2481 0.3165 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7305 0.3489 1.6842 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9975 -0.9293 2.0368 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9277 -1.2578 1.0913 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6483 -2.4485 0.8247 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1323 -0.2120 0.4124 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1786 -0.5275 -0.4415 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3678 0.4731 -1.1339 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.6840 1.8946 -0.8507 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.2181 2.6626 -1.9465 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1842 2.3043 0.3179 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4085 1.4930 0.0824 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4818 1.7801 0.5826 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1137 0.3282 -0.8243 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8640 0.4316 -2.1057 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3425 0.2966 -2.0283 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7331 -1.0546 -1.4855 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2101 -1.2774 -1.3982 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8876 -0.2970 -0.5003 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3531 -0.4090 0.9107 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0905 0.5955 1.7393 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7927 1.8009 1.7157 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1229 0.1548 2.5428 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.0471 0.1786 1.0506 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2082 -0.9199 2.2808 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2184 -1.5821 0.9866 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8184 -0.8480 -0.7726 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8713 -1.8735 0.3232 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8821 1.1888 0.1021 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6315 0.0607 -0.4806 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0519 1.2052 1.6624 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5405 0.5408 2.4152 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7378 -1.7220 2.1437 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5445 -0.7316 3.0515 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3303 0.8305 0.6197 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0199 -1.6094 -0.6112 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5485 0.3158 -2.2380 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7399 2.1516 -0.7438 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8950 3.2705 -2.2965 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2805 2.1471 1.2955 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3819 3.4081 0.2252 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3329 -0.6077 -0.2912 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4883 -0.4050 -2.7658 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5929 1.3890 -2.6258 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7156 0.3080 -3.0958 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8583 1.1212 -1.5378 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3316 -1.8548 -2.1761 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2564 -1.1891 -0.5084 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6945 -1.2959 -2.3987 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4023 -2.3041 -0.9816 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9799 -0.4940 -0.4614 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7420 0.7343 -0.8873 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5336 -1.4418 1.3141 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2596 -0.2575 0.9776 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3427 0.6097 3.4088 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 6 8 1 0 8 9 2 0 9 10 1 0 10 11 1 0 11 12 1 0 11 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 1 0 22 23 1 0 23 24 2 0 23 25 1 0 16 10 1 0 1 26 1 0 1 27 1 0 1 28 1 0 2 29 1 0 2 30 1 0 3 31 1 0 3 32 1 0 4 33 1 0 4 34 1 0 5 35 1 0 5 36 1 0 8 37 1 0 9 38 1 0 10 39 1 6 11 40 1 1 12 41 1 0 13 42 1 0 13 43 1 0 16 44 1 1 17 45 1 0 17 46 1 0 18 47 1 0 18 48 1 0 19 49 1 0 19 50 1 0 20 51 1 0 20 52 1 0 21 53 1 0 21 54 1 0 22 55 1 0 22 56 1 0 25 57 1 0 M END