HMDB0301803 RDKit 3D 13(S)-Hydroperoxylinolenic acid 52 51 0 0 0 0 0 0 0 0999 V2000 -8.7252 -0.6930 -0.4380 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5499 -0.2029 0.4018 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7768 0.8359 -0.2812 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5087 0.7488 -0.5943 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6931 -0.4192 -0.2953 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5130 -0.1058 0.6077 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.6836 0.8964 -0.1054 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3495 0.7302 -0.2050 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5438 1.7133 -0.9034 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7429 1.5981 -1.0261 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5064 0.4706 -0.4750 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1898 -0.2098 -1.6515 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0126 -1.3903 -1.2406 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1205 -1.0519 -0.2749 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0859 -0.0505 -0.8708 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1971 0.3003 0.0744 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0310 -0.8793 0.4838 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0845 -0.3769 1.4152 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9478 -1.1500 1.9323 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1810 0.9699 1.7708 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8999 0.3813 1.8300 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4758 -0.3148 2.8495 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.5211 -1.6874 -0.8905 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9499 0.0793 -1.1981 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5976 -0.8334 0.2332 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9749 0.2969 1.3309 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0298 -1.0737 0.7664 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3100 1.7789 -0.5576 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0665 1.6217 -1.1105 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3152 -0.8068 -1.2937 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2078 -1.2792 0.1459 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9049 -1.0159 0.7894 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1099 1.7765 -0.5607 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9999 -0.1658 0.2716 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0313 2.6062 -1.3572 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2797 2.4055 -1.5812 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2560 0.7956 0.2847 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8703 -0.2570 0.0317 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4087 -0.5747 -2.3446 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8207 0.5040 -2.2209 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4786 -1.7929 -2.1746 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3441 -2.1730 -0.8701 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7014 -0.5930 0.6448 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5985 -1.9831 0.0214 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4828 -0.4802 -1.8112 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5760 0.8943 -1.1460 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8750 0.8628 0.9493 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8870 0.9861 -0.4990 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4506 -1.6375 1.0473 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5687 -1.3228 -0.3769 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5499 1.6731 1.1559 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5093 -0.4049 2.9063 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 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 2 0 18 20 1 0 6 21 1 0 21 22 1 0 1 23 1 0 1 24 1 0 1 25 1 0 2 26 1 0 2 27 1 0 3 28 1 0 4 29 1 0 5 30 1 0 5 31 1 0 6 32 1 1 7 33 1 0 8 34 1 0 9 35 1 0 10 36 1 0 11 37 1 0 11 38 1 0 12 39 1 0 12 40 1 0 13 41 1 0 13 42 1 0 14 43 1 0 14 44 1 0 15 45 1 0 15 46 1 0 16 47 1 0 16 48 1 0 17 49 1 0 17 50 1 0 20 51 1 0 22 52 1 0 M END