HMDB0010410 RDKit 3D Resolvin E1 55 54 0 0 0 0 0 0 0 0999 V2000 9.3653 0.7221 0.9255 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1042 1.3822 0.3534 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9495 0.9527 1.2633 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8706 -0.4371 1.2243 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6715 1.4971 0.7358 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8920 0.7389 -0.0627 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6617 1.2638 -0.5703 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8617 0.5825 -1.3479 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1332 -0.7814 -1.7827 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0093 -1.7238 -1.3035 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2835 -3.0189 -1.7261 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7544 -1.1978 -1.8679 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4251 -1.3335 -1.2629 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6527 -0.8046 -1.8408 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7810 -1.0060 -1.1331 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0546 -0.5195 -1.6205 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1970 -0.6640 -0.9958 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2819 -1.3470 0.2893 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2767 -0.7816 1.1221 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5804 -1.2766 1.0062 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0914 0.0188 1.4650 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2882 1.0401 0.4151 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8745 2.3024 1.0124 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1030 2.3212 2.2358 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.1475 3.3966 0.2311 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2755 -0.3511 0.6730 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2685 1.1942 0.5310 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3698 0.8466 2.0349 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2600 2.4654 0.4460 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9774 1.0069 -0.6597 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1227 1.3469 2.2853 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6044 -0.8492 2.0610 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3653 2.5092 0.9948 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2660 -0.2436 -0.2672 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4057 2.3016 -0.2694 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9414 1.1123 -1.6674 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1384 -0.7832 -2.9041 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0951 -1.1585 -1.4396 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0523 -1.7071 -0.2046 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2886 -3.0673 -1.8025 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7671 -0.6795 -2.8058 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4039 -1.8600 -0.3205 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7088 -0.2839 -2.7619 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7102 -1.5476 -0.2077 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0746 0.0131 -2.5872 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0836 -0.2684 -1.5295 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0117 -2.4058 0.1657 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5434 -1.0670 2.0514 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3549 -1.7887 0.3727 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4482 -1.9330 1.9302 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0967 -0.1254 1.9793 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4115 0.4051 2.2770 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9068 0.7677 -0.4444 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2602 1.3079 0.0258 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9868 3.5159 -0.3282 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 3 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 1 0 10 11 1 0 10 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 1 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 2 0 23 25 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 4 32 1 0 5 33 1 0 6 34 1 0 7 35 1 0 8 36 1 0 9 37 1 0 9 38 1 0 10 39 1 0 11 40 1 0 12 41 1 0 13 42 1 0 14 43 1 0 15 44 1 0 16 45 1 0 17 46 1 0 18 47 1 0 19 48 1 0 20 49 1 0 20 50 1 0 21 51 1 0 21 52 1 0 22 53 1 0 22 54 1 0 25 55 1 0 M END