HMDB0265263 RDKit 3D PA(20:4(8Z,11Z,14Z,17Z)/PGE2) 124124 0 0 0 0 0 0 0 0999 V2000 14.4377 -0.5746 2.7756 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1783 0.1632 2.3430 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3465 0.6191 0.9529 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5759 0.2458 -0.0395 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4334 -0.6864 0.1001 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6194 -1.8817 -0.7683 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7753 -2.1918 -1.6880 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5581 -1.4471 -2.0025 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6055 -0.9823 -3.4327 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5606 0.2584 -3.8335 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4558 1.3885 -2.8703 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2212 2.1637 -3.0644 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2994 2.3373 -2.1580 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4097 1.7632 -0.8221 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 0.8012 -0.5495 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3898 0.2018 0.8250 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3122 -0.7661 1.1857 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2513 -1.9353 0.2464 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2171 -2.9552 0.5838 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8306 -2.4756 0.5951 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2382 -2.4055 -0.5307 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0972 -2.0986 1.6918 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7784 -1.6717 1.6930 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5643 -0.4466 0.8776 C 0 0 2 0 0 0 0 0 0 0 0 0 1.1974 0.8059 1.4731 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7837 1.0105 2.7760 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4484 2.3809 3.4632 P 0 0 0 0 0 5 0 0 0 0 0 0 1.9905 2.0331 4.8191 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2515 3.5689 3.6416 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6637 3.0424 2.4954 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8563 -0.1776 0.9497 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5737 -0.0870 -0.2196 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0591 -0.2238 -1.3651 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0268 0.1859 -0.1127 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6356 0.3038 -1.4707 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1273 0.5809 -1.4090 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8722 -0.4768 -0.7331 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5756 -0.2676 0.3495 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6972 1.0238 1.0035 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1195 1.5344 1.0665 C 0 0 1 0 0 0 0 0 0 0 0 0 -8.1196 2.8641 1.7758 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5206 3.0304 2.8276 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.9208 3.8218 0.9984 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6948 2.9253 0.0431 C 0 0 1 0 0 0 0 0 0 0 0 0 -10.0807 3.6785 -1.0386 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.6715 1.8478 -0.3068 C 0 0 2 0 0 0 0 0 0 0 0 0 -9.3806 0.6809 -0.8794 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6519 0.6804 -1.2217 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4137 -0.4352 -1.7923 C 0 0 1 0 0 0 0 0 0 0 0 0 -11.3965 -0.2499 -3.1954 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.8555 -1.7943 -1.5391 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7339 -2.1921 -0.1099 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0560 -2.2007 0.6205 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0378 -3.1655 -0.0101 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.3170 -3.0946 0.7972 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3383 -0.0245 2.4877 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4563 -0.7347 3.8694 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4120 -1.5739 2.2536 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2813 -0.3795 2.5900 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1669 1.1034 2.9747 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1910 1.3210 0.7848 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7963 0.6522 -1.0253 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4640 -0.1820 -0.0065 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3960 -1.1206 1.1440 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5380 -2.4676 -0.5488 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9777 -3.0936 -2.2946 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7084 -2.2267 -1.9731 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2224 -0.6840 -1.3246 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6847 -1.7415 -4.2306 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5979 0.5174 -4.8934 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7431 1.1533 -1.8555 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2896 2.1020 -3.2234 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0732 2.6247 -4.0430 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3801 2.9320 -2.3524 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3682 1.3796 -0.5016 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1988 2.6270 -0.1031 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3292 1.3933 -0.6025 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2225 0.0190 -1.3058 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4142 0.9835 1.6188 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3793 -0.3118 0.8841 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3467 -0.2510 1.1720 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5142 -1.1156 2.2262 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0750 -1.5876 -0.7989 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2677 -2.3977 0.2380 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2713 -3.7771 -0.1695 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4213 -3.3905 1.6088 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4085 -1.5413 2.7518 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0964 -2.4863 1.2954 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8360 -0.5505 -0.1698 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8707 1.6822 0.8656 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2930 0.8059 1.4437 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1944 3.7510 2.7700 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3567 2.9814 1.5404 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5130 -0.5643 0.5287 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1070 1.1524 0.4643 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1904 1.1848 -1.9796 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3909 -0.5696 -2.0792 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4550 0.5419 -2.4986 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2977 1.6007 -1.1009 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8098 -1.4837 -1.1930 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1172 -1.1236 0.8085 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0149 1.8237 0.6851 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4119 0.8585 2.0978 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8136 0.8767 1.5961 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6677 4.3324 1.6433 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3007 4.5635 0.4335 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5378 2.5174 0.6425 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5467 4.4897 -1.0924 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9310 2.2956 -0.9824 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8246 -0.2392 -1.0335 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1943 1.6254 -1.0597 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4819 -0.3368 -1.5067 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0776 0.4332 -3.4586 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8031 -1.7815 -1.9546 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3671 -2.5863 -2.1052 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3842 -3.2637 -0.1007 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0322 -1.6211 0.4931 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5044 -1.1937 0.7283 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8481 -2.5730 1.6445 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6801 -4.2057 0.0201 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2448 -2.9152 -1.0704 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.4137 -3.9997 1.4544 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.2156 -3.0841 0.1479 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.3744 -2.2039 1.4433 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 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 1 0 27 28 2 0 27 29 1 0 27 30 1 0 24 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 2 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 4 62 1 0 5 63 1 0 5 64 1 0 6 65 1 0 7 66 1 0 8 67 1 0 8 68 1 0 9 69 1 0 10 70 1 0 11 71 1 0 11 72 1 0 12 73 1 0 13 74 1 0 14 75 1 0 14 76 1 0 15 77 1 0 15 78 1 0 16 79 1 0 16 80 1 0 17 81 1 0 17 82 1 0 18 83 1 0 18 84 1 0 19 85 1 0 19 86 1 0 23 87 1 0 23 88 1 0 24 89 1 6 25 90 1 0 25 91 1 0 29 92 1 0 30 93 1 0 34 94 1 0 34 95 1 0 35 96 1 0 35 97 1 0 36 98 1 0 36 99 1 0 37100 1 0 38101 1 0 39102 1 0 39103 1 0 40104 1 1 43105 1 0 43106 1 0 44107 1 1 45108 1 0 46109 1 6 47110 1 0 48111 1 0 49112 1 1 50113 1 0 51114 1 0 51115 1 0 52116 1 0 52117 1 0 53118 1 0 53119 1 0 54120 1 0 54121 1 0 55122 1 0 55123 1 0 55124 1 0 M END